Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50111107'   

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))	BDBM50111107 ((S)-1-((R)-2-Methanesulfonylamino-3,3-diphenyl-pro...) Show SMILES Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(C)(=O)=O)C(c2ccccc2)c2ccccc2)ccc1CN Show InChI InChI=1S/C30H36N4O4S/c1-21-18-22(15-16-25(21)19-31)20-32-29(35)26-14-9-17-34(26)30(36)28(33-39(2,37)38)27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-16,18,26-28,33H,9,14,17,19-20,31H2,1-2H3,(H,32,35)/t26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against human thrombin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
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