Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50486092'   

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
Genome polyprotein (Hepacivirus C)	BDBM50486092 (CHEMBL2203892) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60| Show InChI InChI=1S/C41H52N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,5,11-13,19-20,25,28,30-32,34-35H,1,4,6-10,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/b11-5+/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease D168V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486092 (CHEMBL2203892) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60| Show InChI InChI=1S/C41H52N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,5,11-13,19-20,25,28,30-32,34-35H,1,4,6-10,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/b11-5+/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50486092 (CHEMBL2203892) Show SMILES [H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60| Show InChI InChI=1S/C41H52N6O9S/c1-3-28-22-41(28,39(50)45-57(52,53)32-14-15-32)44-36(48)34-21-31-24-47(34)38(49)35(25-9-6-7-10-25)43-40(51)46-17-16-30(23-46)55-18-8-4-5-11-27-19-26-12-13-29(54-2)20-33(26)42-37(27)56-31/h3,5,11-13,19-20,25,28,30-32,34-35H,1,4,6-10,14-18,21-24H2,2H3,(H,43,51)(H,44,48)(H,45,50)/b11-5+/t28-,30+,31-,34+,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair