Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50017925'   

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))	BDBM50017925 (CHEMBL3289041) Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=O)c1 |r,wU:4.7,wD:1.0,(15.46,-14.03,;14.12,-13.26,;14.12,-11.72,;12.79,-10.95,;11.46,-11.72,;11.46,-13.26,;12.79,-14.03,;10.12,-10.95,;8.79,-11.72,;8.79,-13.26,;7.46,-10.95,;6.12,-11.72,;4.79,-10.95,;3.45,-11.72,;2.12,-10.95,;.79,-11.72,;-.55,-10.95,;-.55,-9.41,;.79,-8.64,;2.12,-9.41,;-1.88,-8.64,;-3.21,-9.41,;-1.88,-7.1,;4.79,-9.41,;6.12,-8.64,;6.12,-7.1,;7.46,-6.33,;7.46,-4.79,;8.79,-4.02,;10.12,-4.79,;10.12,-6.33,;8.79,-7.1,;11.46,-4.02,;12.79,-4.79,;11.46,-2.48,;7.46,-9.41,)| Show InChI InChI=1S/C27H29N5O4/c28-19-5-7-20(8-6-19)32-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)33/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H2,31,33)(H,32,34)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
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