Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7585   

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))	BDBM203919 (US9242988, 1) Show SMILES C[C@@]1(C#N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12 |r| Show InChI InChI=1S/C13H18N5O12P3/c1-13(5-14)10(19)9(4-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(13)7-2-3-8-12(15)16-6-17-18(7)8/h2-3,6,9-11,19H,4H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-4/t9-,10-,11+,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203913 (US9242988, 22) Show SMILES C[C@]1(C#N)[C@@H](O)[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@@H]1c1cnc2c(N)ncnn12 |r| Show InChI InChI=1S/C12H17N6O12P3/c1-12(4-13)8(19)7(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(12)6-2-15-11-10(14)16-5-17-18(6)11/h2,5,7-9,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/p-4/t7-,8-,9+,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203915 (US9242988, 24) Show SMILES CO[C@@]1(O[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@H](O)[C@]1(C)C#N)c1ccc2c(N)ncnn12 |r| Show InChI InChI=1S/C14H20N5O13P3/c1-13(6-15)11(20)9(5-29-34(24,25)32-35(26,27)31-33(21,22)23)30-14(13,28-2)10-4-3-8-12(16)17-7-18-19(8)10/h3-4,7,9,11,20H,5H2,1-2H3,(H,24,25)(H,26,27)(H2,16,17,18)(H2,21,22,23)/p-4/t9-,11-,13-,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203914 (US9242988, 23) Show SMILES C[C@]1(C#N)[C@H](O)[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@]1(C#N)c1ccc2c(N)ncnn12 |r| Show InChI InChI=1S/C14H17N6O12P3/c1-13(5-15)11(21)9(4-29-34(25,26)32-35(27,28)31-33(22,23)24)30-14(13,6-16)10-3-2-8-12(17)18-7-19-20(8)10/h2-3,7,9,11,21H,4H2,1H3,(H,25,26)(H,27,28)(H2,17,18,19)(H2,22,23,24)/p-4/t9-,11+,13-,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203918 (US9242988, 27) Show SMILES CO[C@@]1(O[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@H](O)C1(C)C#N)c1cnc2c(N)ncnn12 |r| Show InChI InChI=1S/C13H19N6O13P3/c1-12(5-14)9(20)7(4-29-34(24,25)32-35(26,27)31-33(21,22)23)30-13(12,28-2)8-3-16-11-10(15)17-6-18-19(8)11/h3,6-7,9,20H,4H2,1-2H3,(H,24,25)(H,26,27)(H2,15,17,18)(H2,21,22,23)/p-4/t7-,9-,12?,13+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203916 (US9242988, 25) Show SMILES CC1(C#N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@@]1(C#N)c1cnc2c(N)ncnn12 |r| Show InChI InChI=1S/C13H16N7O12P3/c1-12(4-14)9(21)7(3-29-34(25,26)32-35(27,28)31-33(22,23)24)30-13(12,5-15)8-2-17-11-10(16)18-6-19-20(8)11/h2,6-7,9,21H,3H2,1H3,(H,25,26)(H,27,28)(H2,16,18,19)(H2,22,23,24)/p-4/t7-,9-,12?,13+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203917 (US9242988, 26) Show SMILES CC1(C#N)[C@@H](O)[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@]1(C#N)c1cnc2n1nc[nH]c2=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair