BDBM50201269 CHEMBL3904281

SMILES: COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(C)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C

InChI Key: InChIKey=LAUVCJWPBYKZPC-JOPCKLHNSA-N

Data: 2 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 2 hits for monomerid = 50201269   

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 VII/Tissue factor (Homo sapiens (Human))	BDBM50201269 (CHEMBL3904281) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(C)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-14-11-23(37-34(41)46-6)18-26(30)27-8-7-15-38(27)33(40)31(21-9-13-28(44-4)29(16-21)45-5)36-22-10-12-24-20(3)35-32(39)25(24)17-22/h9-14,16-20,27,31,36H,7-8,15H2,1-6H3,(H,35,39)(H,37,41)/t20?,27-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	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
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50201269 (CHEMBL3904281) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2C(C)NC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-14-11-23(37-34(41)46-6)18-26(30)27-8-7-15-38(27)33(40)31(21-9-13-28(44-4)29(16-21)45-5)36-22-10-12-24-20(3)35-32(39)25(24)17-22/h9-14,16-20,27,31,36H,7-8,15H2,1-6H3,(H,35,39)(H,37,41)/t20?,27-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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