Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM204716'   

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 (Virus))	BDBM204716 (US9243002, 56 | US9243002, 57) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S2/c1-38-35(42)32-25-15-24(29(40(2)49(4,45)46)17-31(25)47-34(32)19-8-11-21(36)12-9-19)27-13-10-20-14-22(18-48(3,43)44)41-28-7-5-6-26(37)23(28)16-30(41)33(20)39-27/h5-13,15-17,22H,14,18H2,1-4H3,(H,38,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM204716 (US9243002, 56 | US9243002, 57) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S2/c1-38-35(42)32-25-15-24(29(40(2)49(4,45)46)17-31(25)47-34(32)19-8-11-21(36)12-9-19)27-13-10-20-14-22(18-48(3,43)44)41-28-7-5-6-26(37)23(28)16-30(41)33(20)39-27/h5-13,15-17,22H,14,18H2,1-4H3,(H,38,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM204716 (US9243002, 56 | US9243002, 57) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S2/c1-38-35(42)32-25-15-24(29(40(2)49(4,45)46)17-31(25)47-34(32)19-8-11-21(36)12-9-19)27-13-10-20-14-22(18-48(3,43)44)41-28-7-5-6-26(37)23(28)16-30(41)33(20)39-27/h5-13,15-17,22H,14,18H2,1-4H3,(H,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM204716 (US9243002, 56 | US9243002, 57) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S2/c1-38-35(42)32-25-15-24(29(40(2)49(4,45)46)17-31(25)47-34(32)19-8-11-21(36)12-9-19)27-13-10-20-14-22(18-48(3,43)44)41-28-7-5-6-26(37)23(28)16-30(41)33(20)39-27/h5-13,15-17,22H,14,18H2,1-4H3,(H,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair