Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50141571'   

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))	BDBM50141571 (Azaphenylalanine derivative | CHEMBL37857) Show SMILES CC1CCCCN1C(=O)N(Cc1ccc(cc1)C(=N)NO)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-18-6-4-5-15-29(18)25(31)30(17-19-9-11-21(12-10-19)24(26)27-32)28-35(33,34)23-14-13-20-7-2-3-8-22(20)16-23/h2-3,7-14,16,18,28,32H,4-6,15,17H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro inhibition of human alpha-thrombin				Bioorg Med Chem Lett 14: 1563-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.083 BindingDB Entry DOI: 10.7270/Q2QJ7GQH
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