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2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid , CAS No.E608663, Inhibitor of coagulation factor VII;Inhibitor of kallikrein B1

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2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid , CAS No.E608663, Inhibitor of coagulation factor VII;Inhibitor of kallikrein B1

Moligand™

PubChem CID: 135532896

Item Number

E608663

Grouped product items
SKU	Size	Availability	Price	Qty
E608663-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90
E608663-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

coagulation factor VII Inhibitor kallikrein B1 Inhibitor

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of coagulation factor VII;Inhibitor of kallikrein B1

Associated Targets(Human)

F7 Tchem Coagulation factor VII (1 Activities)

Discover Target: F7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KLKB1 Tclin Plasma kallikrein (2 Activities)

Discover Target: KLKB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KLKB1 Tclin Plasma kallikrein (2047 Activities)

Discover Target: KLKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid
INCHI	InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10H2,(H3,26,27)(H2,28,34)(H,31,32)(H,35,36)/b24-17+
InChi Key	WFPGMUDIBWJJND-JJIBRWJFSA-N
Canonical SMILES	OC(=O)CC(C1=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)N)C2=C(C(=CC(=C2)C(CC(=O)O)C(=O)O)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O
PubChem CID	135532896

Database links

PubChem CID	135532896
ChEMBL Ligand	CHEMBL206454

Certificates

Certificate of Analysis(COA)

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References

1. Young WB, Rai R, Shrader WD, Burgess-Henry J, Hu H, Elrod KC, Sprengeler PA, Katz BA, Sukbuntherng J, Mordenti J. (2006) Small molecule inhibitors of plasma kallikrein.. Bioorg Med Chem Lett, 16 (7): (2034-6). [PMID:16413183] [10.1021/op500134e]

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