Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50087528'   

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))	BDBM50087528 (5-Amino-3-(3-carbamimidoyl-phenyl)-isoxazole-4-car...) Show SMILES NC(=N)c1cccc(c1)-c1noc(N)c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H20N6O4S/c24-21(25)15-5-3-4-14(12-15)20-19(22(26)33-29-20)23(30)28-16-10-8-13(9-11-16)17-6-1-2-7-18(17)34(27,31)32/h1-12H,26H2,(H3,24,25)(H,28,30)(H2,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair