Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50079234'   

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))	BDBM50079234 (5-Butoxymethyl-3-(3-carbamimidoyl-phenyl)-4,5-dihy...) Show SMILES CCCCOCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C28H31N5O5S/c1-2-3-15-37-18-28(17-24(33-38-28)20-7-6-8-21(16-20)26(29)30)27(34)32-22-13-11-19(12-14-22)23-9-4-5-10-25(23)39(31,35)36/h4-14,16H,2-3,15,17-18H2,1H3,(H3,29,30)(H,32,34)(H2,31,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
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