Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50054483'   

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))	BDBM50054483 ((S)-4-{(S)-2-[(S)-1-(1-Carbamimidoyl-piperidin-3-y...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCN(C1)C(N)=N)C=O Show InChI InChI=1S/C27H46N6O6/c1-4-8-19(9-5-2)24(36)31-21(15-23(35)39-3)26(38)33-13-7-11-22(33)25(37)30-20(17-34)14-18-10-6-12-32(16-18)27(28)29/h17-22H,4-16H2,1-3H3,(H3,28,29)(H,30,37)(H,31,36)/t18?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a.				J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054483 ((S)-4-{(S)-2-[(S)-1-(1-Carbamimidoyl-piperidin-3-y...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCN(C1)C(N)=N)C=O Show InChI InChI=1S/C27H46N6O6/c1-4-8-19(9-5-2)24(36)31-21(15-23(35)39-3)26(38)33-13-7-11-22(33)25(37)30-20(17-34)14-18-10-6-12-32(16-18)27(28)29/h17-22H,4-16H2,1-3H3,(H3,28,29)(H,30,37)(H,31,36)/t18?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a.				J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV
					More data for this Ligand-Target Pair