Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50215438'   

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
Prothrombin (Homo sapiens (Human))	BDBM50215438 ((E)-N-((5-amino-2,3-dihydrobenzo[f][1,4]thiazepin-...) Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(SCCN=C2N)c1 |c:36| Show InChI InChI=1S/C26H28ClN7O2S/c27-23-22(16-3-1-4-17(28)12-16)34(26(36)25(33-23)32-18-5-2-6-18)14-21(35)31-13-15-7-8-19-20(11-15)37-10-9-30-24(19)29/h1,3-4,7-8,11-12,18H,2,5-6,9-10,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 2a				Bioorg Med Chem Lett 17: 4568-74 (2007) Article DOI: 10.1016/j.bmcl.2007.05.090 BindingDB Entry DOI: 10.7270/Q2319VK8
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