BDBM50201423 CHEMBL3939482

SMILES: COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(c1)c(=O)[nH][nH]c2=O)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C

InChI Key: InChIKey=CKLJHWMKVUIHGL-VAVYLYDRSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50201423   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50201423 (CHEMBL3939482) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(c1)c(=O)[nH][nH]c2=O)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37N5O9S/c1-18(2)48(43,44)28-13-10-21(35-33(42)47-5)17-24(28)25-7-6-14-38(25)32(41)29(19-8-12-26(45-3)27(15-19)46-4)34-20-9-11-22-23(16-20)31(40)37-36-30(22)39/h8-13,15-18,25,29,34H,6-7,14H2,1-5H3,(H,35,42)(H,36,39)(H,37,40)/t25-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins				ACS Med Chem Lett 7: 1077-1081 (2016) Article DOI: 10.1021/acsmedchemlett.6b00282 BindingDB Entry DOI: 10.7270/Q2GB2613
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