Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50374306'   

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))	BDBM50374306 (CHEMBL403735) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C33H36N6O3S/c34-33(35)36-19-9-16-26(30(41)32-38-25-15-7-8-18-28(25)43-32)37-31(42)27-17-10-20-39(27)29(40)21-24(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-15,18,24,26-27H,9-10,16-17,19-21H2,(H,37,42)(H4,34,35,36)/t26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
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