Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50076833'   

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))	BDBM50076833 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES C[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C24H33FN4O4S/c1-18(24(31)29-13-9-19(7-11-25)10-14-29)28-34(32,33)23-16-26-12-8-22(23)27-21(17-30)15-20-5-3-2-4-6-20/h2-6,8,12,16,18-19,21,28,30H,7,9-11,13-15,17H2,1H3,(H,26,27)/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
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