Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50082609'   

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 (Bos taurus (Bovine))	BDBM50082609 (CHEMBL140911 | N-[4-Guanidino-1-((S)-2-hydroxymeth...) Show SMILES CC(C)(c1ccccc1)c1cccc(c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C26H37N5O4S/c1-26(2,19-9-4-3-5-10-19)20-11-6-13-22(17-20)36(34,35)30-23(14-7-15-29-25(27)28)24(33)31-16-8-12-21(31)18-32/h3-6,9-11,13,17,21,23,30,32H,7-8,12,14-16,18H2,1-2H3,(H4,27,28,29)/t21-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	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 Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
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