Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50272576'   

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))	BDBM50272576 (3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...) Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C27H37N5O6S2/c1-4-17(2)23(32-40(37,38)16-19-6-5-7-21(14-19)27(35)36)26(34)31-22(12-13-39-3)25(33)30-15-18-8-10-20(11-9-18)24(28)29/h5-11,14,17,22-23,32H,4,12-13,15-16H2,1-3H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)/t17-,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 18: 4533-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.044 BindingDB Entry DOI: 10.7270/Q29G5MN3
					More data for this Ligand-Target Pair