Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50045791   

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 (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081634 (CHEMBL3422106) Show SMILES CC(C)N1CCC(C1)N(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C29H37N3O3S/c1-19(2)31-15-14-22(17-31)30(3)25(33)18-32-23-16-24(29(34)35)36-28(23)26(20-10-6-4-7-11-20)27(32)21-12-8-5-9-13-21/h5,8-9,12-13,16,19-20,22H,4,6-7,10-11,14-15,17-18H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081636 (CHEMBL3422108) Show SMILES CC(C)CNCc1c(sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C3CCN(C3)C(C)C)c12)C(O)=O Show InChI InChI=1S/C34H48N4O3S/c1-22(2)18-35-19-27-31-33(42-32(27)34(40)41)29(24-12-8-6-9-13-24)30(25-14-10-7-11-15-25)38(31)21-28(39)36(5)26-16-17-37(20-26)23(3)4/h7,10-11,14-15,22-24,26,35H,6,8-9,12-13,16-21H2,1-5H3,(H,40,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081635 (CHEMBL3422107) Show SMILES CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1 |r| Show InChI InChI=1S/C29H37N3O2S/c1-19(2)30-13-12-22(18-30)31-14-15-32-24-16-25(29(33)34)35-28(24)26(20-8-4-3-5-9-20)27(32)23-11-7-6-10-21(23)17-31/h6-7,10-11,16,19-20,22H,3-5,8-9,12-15,17-18H2,1-2H3,(H,33,34)/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50187149 (6-cyclohexyl-4-(2-(dimethylamino)-2-oxoethyl)-5-ph...) Show SMILES CN(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H26N2O3S/c1-24(2)19(26)14-25-17-13-18(23(27)28)29-22(17)20(15-9-5-3-6-10-15)21(25)16-11-7-4-8-12-16/h4,7-8,11-13,15H,3,5-6,9-10,14H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair