Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor VII/Tissue factor' and Ligand = 'BDBM50440840'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50440840 (CHEMBL2431599) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(CO)c1 Show InChI InChI=1S/C29H32N4O6S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(32-22-9-10-24-20(15-22)12-13-31-28(24)30)29(35)33-40(36,37)23-7-5-6-19(14-23)17-34/h5-16,18,27,32,34H,4,17H2,1-3H3,(H2,30,31)(H,33,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate				Bioorg Med Chem Lett 23: 5244-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.027 BindingDB Entry DOI: 10.7270/Q2S46TDQ
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