Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50254409'   

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))	BDBM50254409 ((+/-)-3-{3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-[3...) Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C31H36N6O3S/c32-13-9-21-11-15-37(16-12-21)31(38)29(18-22-3-1-5-26(17-22)30(33)34)36-41(39,40)27-6-2-4-23(20-27)24-7-8-28-25(19-24)10-14-35-28/h1-8,10,14,17,19-21,29,35-36H,9,11-13,15-16,18,32H2,(H3,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
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