1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea

ID: ALA9387

Chembl Id: CHEMBL9387

Max Phase: Preclinical

Molecular Formula: C24H22N4O2

Molecular Weight: 398.47

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: L-365260 | LY-365260

Canonical SMILES:  Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1

Standard InChI:  InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1

Standard InChI Key:  KDFQABSFVYLGPM-QFIPXVFZSA-N

Alternative Forms

  1. Parent:

    ALA9387

    L-365260

Associated Targets(Human)

CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin receptor (506 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKAR Tclin Cholecystokinin A receptor (4460 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGS (1999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fibroblast (163371 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC6 Tclin Histone deacetylase 6 (20808 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FGFR3 Tclin Fibroblast growth factor receptor 3 (7811 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK1 Tchem MAP kinase ERK2 (25055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APLNR Tchem Apelin receptor (3301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FPR2 Tchem Lipoxin A4 receptor (3472 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR119 Tclin Glucose-dependent insulinotropic receptor (4762 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADGRF1 Tbio Adhesion G-protein coupled receptor F1 (1591 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Cckar Cholecystokinin A receptor (1695 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckbr Cholecystokinin B receptor (792 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin receptor (88 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKAR Cholecystokinin A receptor (976 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckbr Cholecystokinin B receptor (729 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAC13 (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAC16 (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (11336 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: NoChemical Probe: YesParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 398.47Molecular Weight (Monoisotopic): 398.1743AlogP: 3.96#Rotatable Bonds: 3
Polar Surface Area: 73.80Molecular Species: NEUTRALHBA: 3HBD: 2
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 13.35CX Basic pKa: 0.88CX LogP: 4.32CX LogD: 4.32
Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.70Np Likeness Score: -0.75

References

1. Padia JK, Field M, Hinton J, Meecham K, Pablo J, Pinnock R, Roth BD, Singh L, Suman-Chauhan N, Trivedi BK, Webdale L..  (1998)  Novel nonpeptide CCK-B antagonists: design and development of quinazolinone derivatives as potent, selective, and orally active CCK-B antagonists.,  41  (7): [PMID:9544204] [10.1021/jm970373j]
2. Bellier B, Da Nascimento S, Meudal H, Gincel E, Roques BP, Garbay C..  (1998)  Novel constrained CCK-B dipeptoid antagonists derived from pipecolic acid.,  (11): [PMID:9871777] [10.1016/s0960-894x(98)00231-5]
3. van Niel MB, Freedman SB, Matassa VG, Patel S, Pengilley RR, Smith AJ.  (1995)  CCKB selective receptor ligands: novel 1,3,5-trisubstituted benzazepin-2-ones,  (13): [10.1016/0960-894X(95)00234-K]
4. Kawanishi Y, Ishihara S, Tsushima T, Seno K, Miyagoshi M, Hagishita S, Ishikawa M, Shima N, Shimamura M, Ishihara Y.  (1996)  Design, synthesis, and pharmacological evaluation of dual histamine H2 and gastrin receptor antagonists,  (13): [10.1016/S0960-894X(96)00248-X]
5. Kawanishi Y, Ishihara S, Tsushima T, Seno K, Miyagoshi M, Hagishita S, Ishikawa M, Shima N, Shimamura M, Ishihara Y.  (1996)  Synthesis and pharmacological evaluation of highly potent dual histamine H2 and gastrin receptor antagonists,  (13): [10.1016/S0960-894X(96)00249-1]
6. Yu MJ, Thrasher KJ, McCowan JR, Mason NR, Mendelsohn LG..  (1991)  Quinazolinone cholecystokinin-B receptor ligands.,  34  (4): [PMID:2016728] [10.1021/jm00108a040]
7. Bock MG, DiPardo RM, Evans BE, Rittle KE, Whitter WL, Veber DE, Anderson PS, Freidinger RM..  (1989)  Benzodiazepine gastrin and brain cholecystokinin receptor ligands: L-365,260.,  32  (1): [PMID:2909725] [10.1021/jm00121a004]
8. Corringer PJ, Weng JH, Ducos B, Durieux C, Boudeau P, Bohme A, Roques BP..  (1993)  CCK-B agonist or antagonist activities of structurally hindered and peptidase-resistant Boc-CCK4 derivatives.,  36  (1): [PMID:8421283] [10.1021/jm00053a022]
9. Tabuchi S, Ito H, Sogabe H, Kuno M, Katsumi I, Yamamoto N, Mitsui H, Satoh Y.  (1997)  Dual CCK-A and -B receptor antagonists (I) C9-methyl-1,4-benzodiazepines,  (2): [10.1016/S0960-894X(96)00609-9]
10. Kalindjian SB, Buck IM, Davies JM, Dunstone DJ, Hudson ML, Low CM, McDonald IM, Pether MJ, Steel KI, Tozer MJ, Vinter JG..  (1996)  Non-peptide cholecystokinin-B/gastrin receptor antagonists based on bicyclic, heteroaromatic skeletons.,  39  (9): [PMID:8627604] [10.1021/jm9508907]
11. Chambers MS, Hobbs SC, Fletcher SR, Matassa VG, Mitchell PJ, Watt AP, Baker R, Freedman SB, Patel S, Smith AJ.  (1993)  L-708,474: The C5-cyclohexyl analogue of L-365,260, a selective high affinity ligand for the CCKB/gastrin receptor,  (10): [10.1016/S0960-894X(01)80987-2]
12. Lowe JA, Drozda SE, McLean S, Bryce DK, Crawford RT, Zorn S, Morrone J, Appleton TA, Lombardo F.  (1995)  A water soluble benzazepine cholecystokinin-B receptor antagonist,  (17): [10.1016/0960-894X(95)00327-P]
13. Patchett AA..  (1993)  Excursions in drug discovery.,  36  (15): [PMID:8340909] [10.1021/jm00067a001]
14. Sugg EE, Kimery MJ, Ding JM, Kenakin DC, Miller LJ, Queen KL, Rimele TJ..  (1995)  CCK-A receptor selective antagonists derived from the CCK-A receptor selective tetrapeptide agonist Boc-Trp-Lys(Tac)-Asp-MePhe-NH2 (A-71623).,  38  (1): [PMID:7837233] [10.1021/jm00001a027]
15. Crivori P, Cruciani G, Carrupt PA, Testa B..  (2000)  Predicting blood-brain barrier permeation from three-dimensional molecular structure.,  43  (11): [PMID:10841799] [10.1021/jm990968+]
16. Castro JL, Broughton HB, Russell MG, Rathbone D, Watt AP, Ball RG, Chapman KL, Patel S, Smith AJ, Marshall GR, Matassa VG..  (1997)  5-(Piperidin-2-yl)- and 5-(homopiperidin-2-yl)-1,4-benzodiazepines: high-affinity, basic ligands for the cholecystokinin-B receptor.,  40  (16): [PMID:9258356] [10.1021/jm9608523]
17. Drysdale MJ, Pritchard MC, Horwell DC..  (1992)  Rationally designed "dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988.,  35  (14): [PMID:1635058] [10.1021/jm00092a007]
18. Bailey N, Box P, Carr R, Cooke J, Evans B, Finch H, Head J, Pass M, Shah P, Wheatcroft J.  (1997)  Novel 1,5-benzodiazepindione gastrin/CCKB antagonists,  (3): [10.1016/S0960-894X(96)00613-0]
19. Lowe JA, Qian W, Scott PJ, McLean S, Bryce DK, Crawford RT, Bordner J.  (1994)  5,7-Diphenyl-3-ureidohexahydroazepin-2-ones as Cholecystokinin-B receptor ligands,  (24): [10.1016/S0960-894X(01)80832-5]
20. Showell GA, Bourrain S, Fletcher SR, Neduvelil JG, Fletcher AE, Freedman SB, Patel S, Smith AJ, Marshall GR, Graham MI, Sohal B, Matassa VG.  (1995)  C5-piperazinyl-1,4-benzodiazepines, water-soluble, orally bioa vailable CCKB/gastrin receptor antagonists,  (24): [10.1016/0960-894X(95)00530-0]
21. Low CM, Black JW, Broughton HB, Buck IM, Davies JM, Dunstone DJ, Hull RA, Kalindjian SB, McDonald IM, Pether MJ, Shankley NP, Steel KI..  (2000)  Development of peptide 3D structure mimetics: rational design of novel peptoid cholecystokinin receptor antagonists.,  43  (19): [PMID:11000005] [10.1021/jm000937a]
22. McDonald IM, Dunstone DJ, Kalindjian SB, Linney ID, Low CM, Pether MJ, Steel KI, Tozer MJ, Vinter JG..  (2000)  2,7-Dioxo-2,3,4,5,6,7-hexahydro-1H-benzo[h][1,4]diazonine as a new template for the design of CCK(2) receptor antagonists.,  43  (19): [PMID:11000006] [10.1021/jm000960w]
23. Ursini A, Capelli AM, Carr RA, Cassarà P, Corsi M, Curcuruto O, Curotto G, Dal Cin M, Davalli S, Donati D, Feriani A, Finch H, Finizia G, Gaviraghi G, Marien M, Pentassuglia G, Polinelli S, Ratti E, Reggiani AM, Tarzia G, Tedesco G, Tranquillini ME, Trist DG, Van Amsterdam FT..  (2000)  Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists.,  43  (20): [PMID:11020274] [10.1021/jm990967h]
24. Kalindjian SB, Bodkin MJ, Buck IM, Dunstone DJ, Low CM, McDonald IM, Pether MJ, Steel KI..  (1994)  A new class of non-peptidic cholecystokinin-B/gastrin receptor antagonists based on dibenzobicyclo[2.2.2]octane.,  37  (22): [PMID:7966125] [10.1021/jm00048a001]
25. Lowe JA, Hageman DL, Drozda SE, McLean S, Bryce DK, Crawford RT, Zorn S, Morrone J, Bordner J..  (1994)  5-Phenyl-3-ureidobenzazepin-2-ones as cholecystokinin-B receptor antagonists.,  37  (22): [PMID:7966138] [10.1021/jm00048a015]
26. Selnick HG, Liverton NJ, Baldwin JJ, Butcher JW, Claremon DA, Elliott JM, Freidinger RM, King SA, Libby BE, McIntyre CJ, Pribush DA, Remy DC, Smith GR, Tebben AJ, Jurkiewicz NK, Lynch JJ, Salata JJ, Sanguinetti MC, Siegl PK, Slaughter DE, Vyas K..  (1997)  Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(2,4-trifluoromethyl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)- 2, 3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]acetamide.,  40  (24): [PMID:9397166] [10.1021/jm970517u]
27. Bellier B, McCort-Tranchepain I, Ducos B, Danascimento S, Meudal H, Noble F, Garbay C, Roques BP..  (1997)  Synthesis and biological properties of new constrained CCK-B antagonists: discrimination of two affinity states of the CCK-B receptor on transfected CHO cells.,  40  (24): [PMID:9397175] [10.1021/jm970439a]
28. Horwell DC, Hughes J, Hunter JC, Pritchard MC, Richardson RS, Roberts E, Woodruff GN..  (1991)  Rationally designed "dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties.,  34  (1): [PMID:1671419] [10.1021/jm00105a062]
29. Bock MG, DiPardo RM, Evans BE, Rittle KE, Whitter WL, Garsky VM, Gilbert KF, Leighton JL, Carson KL, Mellin EC..  (1993)  Development of 1,4-benzodiazepine cholecystokinin type B antagonists.,  36  (26): [PMID:8277510] [10.1021/jm00078a018]
30. Semple G, Ryder H, Kendrick DA, Szelke M, Ohta M, Satoh M, Nishida A, Akuzawa S, Miyata K.  (1996)  Synthesis and biological activity of 1-alkylcarbonylmethyl analogues of YM022,  (1): [10.1016/0960-894X(95)00556-9]
31. Patchett AA..  (2002)  2002 Alfred Burger Award Address in Medicinal Chemistry. Natural products and design: interrelated approaches in drug discovery.,  45  (26): [PMID:12477342] [10.1021/jm020424z]
32. Boden PR, Higginbottom M, Hill DR, Horwell DC, Hughes J, Rees DC, Roberts E, Singh L, Suman-Chauhan N, Woodruff GN..  (1993)  Cholecystokinin dipeptoid antagonists: design, synthesis, and anxiolytic profile of some novel CCK-A and CCK-B selective and "mixed" CCK-A/CCK-B antagonists.,  36  (5): [PMID:7684452] [10.1021/jm00057a005]
33. Freidinger RM, Whitter WL, Gould NP, Holloway MK, Chang RS, Lotti VJ..  (1990)  Novel glutamic acid derived cholecystokinin receptor ligands.,  33  (2): [PMID:2299627] [10.1021/jm00164a020]
34. Showell GA, Bourrain S, Neduvelil JG, Fletcher SR, Baker R, Watt AP, Fletcher AE, Freedman SB, Kemp JA, Marshall GR..  (1994)  High-affinity and potent, water-soluble 5-amino-1,4-benzodiazepine CCKB/gastrin receptor antagonists containing a cationic solubilizing group.,  37  (6): [PMID:8145219] [10.1021/jm00032a002]
35. Padia J, Chilvers H, Daum P, Pinnock R, Suman-Chauhan N, webdale L, Trivedi B.  (1997)  Design and synthesis of novel nonpeptide CCK-B receptor antagonists,  (7): [10.1016/S0960-894X(97)00108-X]
36. Castro JL, Ball RG, Broughton HB, Russell MG, Rathbone D, Watt AP, Baker R, Chapman KL, Fletcher AE, Patel S, Smith AJ, Marshall GR, Ryecroft W, Matassa VG..  (1996)  Controlled modification of acidity in cholecystokinin B receptor antagonists: N-(1,4-benzodiazepin-3-yl)-N'-[3-(tetrazol-5-ylamino) phenyl]ureas.,  39  (4): [PMID:8632408] [10.1021/jm9506736]
37. Howbert J, Lobb KL, Britton TC, Mason NR, Bruns RF.  (1993)  Diphenylpyrazolidinone and benzodiazepine cholecystokinin antagonists: A case of convergent evolution in medicinal chemistry,  (5): [10.1016/S0960-894X(00)80684-8]
38. Hill D, Horwell D, Hunter J, Kneen C, Pritchard M, Suman-Chauhan N.  (1993)  Synthesis of a potent and selective non-peptide CCK-B/gastrin receptor antagonist tritiated ligand.,  (5): [10.1016/S0960-894X(00)80686-1]
39. Du LP, Tsai KC, Li MY, You QD, Xia L..  (2004)  The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.,  14  (18): [PMID:15324906] [10.1016/j.bmcl.2004.06.070]
40. Morphy R, Rankovic Z..  (2005)  Designed multiple ligands. An emerging drug discovery paradigm.,  48  (21): [PMID:16220969] [10.1021/jm058225d]
41. McDonald IM, Austin C, Buck IM, Dunstone DJ, Griffin E, Harper EA, Hull RA, Kalindjian SB, Linney ID, Low CM, Pether MJ, Spencer J, Wright PT, Adatia T, Bashall A..  (2006)  Novel, achiral 1,3,4-benzotriazepine analogues of 1,4-benzodiazepine-based CCK(2) antagonists that display high selectivity over CCK(1) receptors.,  49  (7): [PMID:16570921] [10.1021/jm051219x]
42. Low CM, Vinter JG..  (2008)  Rationalizing the activities of diverse cholecystokinin 2 receptor antagonists using molecular field points.,  51  (3): [PMID:18201065] [10.1021/jm070880t]
43. Shu YZ..  (1998)  Recent natural products based drug development: a pharmaceutical industry perspective.,  61  (8): [PMID:9722499] [10.1021/np9800102]
44. Zheng Y, Akgün E, Harikumar KG, Hopson J, Powers MD, Lunzer MM, Miller LJ, Portoghese PS..  (2009)  Induced association of mu opioid (MOP) and type 2 cholecystokinin (CCK2) receptors by novel bivalent ligands.,  52  (2): [PMID:19113864] [10.1021/jm800174p]
45. Harikumar KG, Akgün E, Portoghese PS, Miller LJ..  (2010)  Modulation of cell surface expression of nonactivated cholecystokinin receptors using bivalent ligand-induced internalization.,  53  (7): [PMID:20235611] [10.1021/jm100135g]
46. Lattmann E, Russell ST, Schwalbe CH, Shortt A, Balaram PN, Theochari E, Alharbi M, Narayanan R, Lattmann P.  (2016)  Cholecystokinin-1 receptor antagonists: 5-hydroxy-5-aryl-pyrrol-2-ones as anticancer agents,  (6): [10.1039/C6MD00052E]
47. Bernhard Ellinger, Denisa Bojkova, Andrea Zaliani, Jindrich Cinatl, Carsten Claussen, Sandra Westhaus, Jeanette Reinshagen, Maria Kuzikov, Markus Wolf, Gerd Geisslinger, Philip Gribbon, Sandra Ciesek.  (2020)  Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection,  [10.21203/rs.3.rs-23951/v1]
48. Maria Kuzikov, Elisa Costanzi, Jeanette Reinshagen, Francesca Esposito, Laura Vangeel, Markus Wolf, Bernhard Ellinger, Carsten Claussen, Gerd Geisslinger, Angela Corona, Daniela Iaconis, Carmine Talarico, Candida Manelfi, Rolando Cannalire, Giulia Rossetti, Jonas Gossen, Simone Albani, Francesco Musiani, Katja Herzog, Yang Ye, Barbara Giabbai, Nicola Demitri, Dirk Jochmans, Steven De Jonghe, Jasper Rymenants, Vincenzo Summa, Enzo Tramontano, Andrea R. Beccari, Pieter Leyssen, Paola Storici, Johan Neyts, Philip Gribbon, and Andrea Zaliani.  (2020)  Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen,  [10.6019/CHEMBL4495564]
49. Andrea Zaliani, Laura Vangeel, Jeanette Reinshagen, Daniela Iaconis, Maria Kuzikov, Oliver Keminer, Markus Wolf, Bernhard Ellinger, Francesca Esposito, Angela Corona, Enzo Tramontano, Candida Manelfi, Katja Herzog, Dirk Jochmans, Steven De Jonghe, Winston Chiu, Thibault Francken, Joost Schepers, Caroline Collard, Kayvan Abbasi, Carsten Claussen , Vincenzo Summa, Andrea R. Beccari, Johan Neyts, Philip Gribbon and Pieter Leyssen.  (2020)  Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort,  [10.6019/CHEMBL4495565]
50. Ellen Van Damme.  (2021)  Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity,  [10.6019/CHEMBL4651402]
51.  (2021)  EUbOPEN Chemogenomics Library wave 1,  [10.6019/CHEMBL4689842]
52. Bernhard Ellinger, Justus Dick, Vanessa Lage-Rupprecht, Bruce Schultz, Andrea Zaliani, Marcin Namysl, Stephan Gebel, Ole Pless, Jeanette Reinshagen, Christian Ebeling, Alexander Esser, Marc Jacobs, Carsten Claussen, and Martin Hofmann-Apitius.  (2021)  HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators,  [10.6019/CHEMBL4808148]
53. EUbOPEN.  (2022)  EUbOPEN Chemogenomics Library wave 2 - DSF,  [10.6019/CHEMBL5060014]
54. EUbOPEN.  (2023)  GPCR results for EUbOPEN Chemogenomics Library 3,  [10.6019/CHEMBL5209801]