Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50349611'   

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))	BDBM50349611 (CHEMBL1808951 | CHEMBL2216905) Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50349611 (CHEMBL1808951 | CHEMBL2216905) Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 4705-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.089 BindingDB Entry DOI: 10.7270/Q2445MTB
					More data for this Ligand-Target Pair