Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50287477'   

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))	BDBM50287477 ((S)-1-((R)-2-Amino-3-cyclohexyl-propionyl)-pyrroli...) Show SMILES N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Cc1ccccc1 Show InChI InChI=1S/C27H42N6O3/c28-21(17-19-9-3-1-4-10-19)26(36)33-16-8-14-23(33)25(35)32-22(13-7-15-31-27(29)30)24(34)18-20-11-5-2-6-12-20/h2,5-6,11-12,19,21-23H,1,3-4,7-10,13-18,28H2,(H,32,35)(H4,29,30,31)/t21-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by clotting test				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50287477 ((S)-1-((R)-2-Amino-3-cyclohexyl-propionyl)-pyrroli...) Show SMILES N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Cc1ccccc1 Show InChI InChI=1S/C27H42N6O3/c28-21(17-19-9-3-1-4-10-19)26(36)33-16-8-14-23(33)25(35)32-22(13-7-15-31-27(29)30)24(34)18-20-11-5-2-6-12-20/h2,5-6,11-12,19,21-23H,1,3-4,7-10,13-18,28H2,(H,32,35)(H4,29,30,31)/t21-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair