Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50287476'   

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))	BDBM50287476 (1-((S)-3-{[(S)-1-((R)-2-Amino-3-cyclohexyl-propion...) Show SMILES N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C[n+]1ccccc1 Show InChI InChI=1S/C26H41N7O3/c27-20(17-19-9-3-1-4-10-19)25(36)33-16-8-12-22(33)24(35)31-21(11-7-13-30-26(28)29)23(34)18-32-14-5-2-6-15-32/h2,5-6,14-15,19-22H,1,3-4,7-13,16-18,27H2,(H4-,28,29,30,31,35)/p+1/t20-,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.190	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 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
Prothrombin (Homo sapiens (Human))	BDBM50287476 (1-((S)-3-{[(S)-1-((R)-2-Amino-3-cyclohexyl-propion...) Show SMILES N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C[n+]1ccccc1 Show InChI InChI=1S/C26H41N7O3/c27-20(17-19-9-3-1-4-10-19)25(36)33-16-8-12-22(33)24(35)31-21(11-7-13-30-26(28)29)23(34)18-32-14-5-2-6-15-32/h2,5-6,14-15,19-22H,1,3-4,7-13,16-18,27H2,(H4-,28,29,30,31,35)/p+1/t20-,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70	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