Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50076945'   

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))	BDBM50076945 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCNCC1)C(=O)c1nccs1 Show InChI InChI=1S/C27H43N5O5S2/c1-2-39(36,37)31-22(18-19-7-4-3-5-8-19)27(35)32-15-6-9-23(32)25(34)30-21(17-20-10-12-28-13-11-20)24(33)26-29-14-16-38-26/h14,16,19-23,28,31H,2-13,15,17-18H2,1H3,(H,30,34)/t21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076945 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCNCC1)C(=O)c1nccs1 Show InChI InChI=1S/C27H43N5O5S2/c1-2-39(36,37)31-22(18-19-7-4-3-5-8-19)27(35)32-15-6-9-23(32)25(34)30-21(17-20-10-12-28-13-11-20)24(33)26-29-14-16-38-26/h14,16,19-23,28,31H,2-13,15,17-18H2,1H3,(H,30,34)/t21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin with respect to Argatroban				Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J
					More data for this Ligand-Target Pair