Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 6976   

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 (HCV genotype 1a, isolate H))	BDBM163037 (US9061041, Compound C) Show SMILES CCOc1nc(N)nc2n(cnc12)[C@@H]1O[C@@H]2COP(=O)(OC2[C@@]1(C)F)C(C)C |r| Show InChI InChI=1S/C16H23FN5O5P/c1-5-24-13-10-12(20-15(18)21-13)22(7-19-10)14-16(4,17)11-9(26-14)6-25-28(23,27-11)8(2)3/h7-9,11,14H,5-6H2,1-4H3,(H2,18,20,21)/t9-,11?,14-,16-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	-42.9	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM163034 (US9061041, 99) Show SMILES COc1nc(N)nc2n(cnc12)[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)N |r| Show InChI InChI=1S/C15H23N6O6P/c1-7(2)26-28(22)24-5-8-10(27-28)15(3,17)13(25-8)21-6-18-9-11(21)19-14(16)20-12(9)23-4/h6-8,10,13H,5,17H2,1-4H3,(H2,16,19,20)/t8-,10-,13-,15-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60	-41.2	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM163032 (US9061041, 26) Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(N)C1O)Oc1ccccc1 |r| Show InChI InChI=1S/C22H32N5O8P/c1-13(2)33-19(29)14(3)26-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,24)20(34-16)27-11-10-17(23)25-21(27)30/h5-11,13-14,16,18,20,28H,12,24H2,1-4H3,(H,26,31)(H2,23,25,30)/t14-,16+,18?,20+,22+,36?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	70	-40.8	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM163036 (US9061041, Compound B) Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	1.50E+3	-33.2	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM163033 (US9061041, 24) Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(N)[C@@H]1O)Oc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70E+3	-30.4	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM163035 (US9061041, 93) Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(C#C)[C@@H]1O)Oc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.00E+3	-29.8	n/a	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 US9061041 (2015) BindingDB Entry DOI: 10.7270/Q2GM862K
					More data for this Ligand-Target Pair