Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50289559'   

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))	BDBM50289559 (CHEMBL39475 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cc1ncc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C20H27N7O5S/c1-13-23-10-16(25-33(31,32)12-14-6-3-2-4-7-14)19(30)27(13)11-17(28)24-15-8-5-9-26(18(15)29)20(21)22/h2-4,6-7,10,15,18,25,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,24,28)/t15-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human thrombin enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
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