BDBM50201266 CHEMBL3921548

SMILES: CNC(=O)c1cccc(N[C@@H](C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c2ccc(OC)c(OC)c2)c1

InChI Key: InChIKey=FVBPDJDCDXVVLW-PDDLMNHVSA-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 = 50201266   

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))	BDBM50201266 (CHEMBL3921548) Show SMILES CNC(=O)c1cccc(N[C@@H](C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C33H40N4O8S/c1-20(2)46(41,42)29-15-13-24(36-33(40)45-6)19-25(29)26-11-8-16-37(26)32(39)30(21-12-14-27(43-4)28(18-21)44-5)35-23-10-7-9-22(17-23)31(38)34-3/h7,9-10,12-15,17-20,26,30,35H,8,11,16H2,1-6H3,(H,34,38)(H,36,40)/t26-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+4	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
					More data for this Ligand-Target Pair