Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50111106'   

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))	BDBM50111106 (2-[1-benzhydryl-2-[2-(5-benzenecarbohydrazonamide-...) Show SMILES NN=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |w:1.0| Show InChI InChI=1S/C28H32N6O4S/c29-26(33-30)22-14-13-20(39-22)16-32-27(37)21-12-7-15-34(21)28(38)25(31-17-23(35)36)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17,30H2,(H2,29,33)(H,32,37)(H,35,36)/t21-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	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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