Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6705   

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))	BDBM149222 (US8962651, 4) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CCC1)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H25F4N5O4/c1-36-27(42)24-22-15-21(18-4-2-5-19(14-18)26(41)39-30(11-3-12-30)29-37-16-43-40-29)23(10-13-31(33,34)35)38-28(22)44-25(24)17-6-8-20(32)9-7-17/h2,4-9,14-16H,3,10-13H2,1H3,(H,36,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.05	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149221 (US8962651, 1) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.32	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM47174 (US8962651, 17) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149225 (US8962651, 9) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H27F4N5O4/c1-16-37-29(44-40-16)30(2,3)39-26(41)19-7-5-6-18(14-19)21-15-22-24(27(42)36-4)25(17-8-10-20(32)11-9-17)43-28(22)38-23(21)12-13-31(33,34)35/h5-11,14-15H,12-13H2,1-4H3,(H,36,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.87	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149227 (US8962651, 13) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H23F5N6O4/c1-28(2,27-37-13-43-40-27)39-24(41)18-10-15(6-9-20(18)31)17-11-19-21(25(42)35-3)22(14-4-7-16(30)8-5-14)44-26(19)38-23(17)36-12-29(32,33)34/h4-11,13H,12H2,1-3H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149223 (US8962651, 7) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H26F4N6O4/c1-15-37-28(44-40-15)29(2,3)39-25(41)18-7-5-6-17(12-18)20-13-21-22(26(42)35-4)23(16-8-10-19(31)11-9-16)43-27(21)38-24(20)36-14-30(32,33)34/h5-13H,14H2,1-4H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.13	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149224 (US8962651, 8) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H24F4N6O4/c1-15-37-28(44-40-15)29(10-11-29)39-25(41)18-5-3-4-17(12-18)20-13-21-22(26(42)35-2)23(16-6-8-19(31)9-7-16)43-27(21)38-24(20)36-14-30(32,33)34/h3-9,12-13H,10-11,14H2,1-2H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149226 (US8962651, 12) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H24F4N6O4/c1-28(2,27-36-14-42-39-27)38-24(40)17-6-4-5-16(11-17)19-12-20-21(25(41)34-3)22(15-7-9-18(30)10-8-15)43-26(20)37-23(19)35-13-29(31,32)33/h4-12,14H,13H2,1-3H3,(H,34,41)(H,35,37)(H,38,40)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.25	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair