Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50073301'   

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))	BDBM50073301 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073301 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair