Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 9754   

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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429626 (US10550091, No. LC-35 | US10947203, No. LC-35) Show SMILES COc1cc(C(C)=O)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H24ClN3O4S/c1-13-21(31(28,29)16-9-7-15(8-10-16)22(3,4)5)24-25-26(13)19-12-18(23)17(14(2)27)11-20(19)30-6/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429599 (US10550091, No. LC-8 | US10947203, No. LC-8) Show SMILES COc1cc(c(OC)cc1F)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24FN3O4S/c1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429621 (US10550091, No. LC-30 | US10947203, No. LC-30) Show SMILES COc1cc(C)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24ClN3O3S/c1-13-11-19(28-6)18(12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429611 (US10550091, No. LC-20 | US10947203, No. LC-20) Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429627 (US10550091, No. LC-36 | US10947203, No. LC-36) Show SMILES COc1cc(C#N)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H21ClN4O3S/c1-13-20(30(27,28)16-8-6-15(7-9-16)21(2,3)4)24-25-26(13)18-11-17(22)14(12-23)10-19(18)29-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429660 (US10550091, No. LC-69 | US10947203, No. LC-69) Show SMILES COc1ccc(Cl)cc1-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21ClN2O3S/c1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h5-12H,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429662 (US10550091, No. LC-71 | US10947203, No. LC-71) Show SMILES COc1ccc(C)cc1-c1ncc(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H26N2O3S/c1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4/h7-14H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429664 (US10550091, No. LC-73 | US10947203, No. LC-73) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H26N2O4S/c1-14-21(29(25,26)17-10-7-15(8-11-17)22(2,3)4)24-20(23-14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429608 (US10550091, No. LC-17 | US10947203, No. LC-17) Show SMILES COc1cc(c(OC)cc1C#N)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H24N4O4S/c1-14-21(31(27,28)17-9-7-16(8-10-17)22(2,3)4)24-25-26(14)18-12-19(29-5)15(13-23)11-20(18)30-6/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429675 (US10550091, No. LC-84 | US10947203, No. LC-84) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429669 (US10550091, No. LC-78 | US10947203, No. LC-78) Show SMILES COc1ccc(Cl)cc1-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25ClN2O3S/c1-14-21(29(26,27)17-10-7-15(8-11-17)22(2,3)4)25(5)20(24-14)18-13-16(23)9-12-19(18)28-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429609 (US10550091, No. LC-18 | US10947203, No. LC-18) Show SMILES COc1cc(F)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24FN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429678 (US10550091, No. LC-87 | US10947203, No. LC-87) Show SMILES COc1ccc(O)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13-19(21-22-23(13)17-12-15(24)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12,24H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM486281 (US10947203, No. LC-82) Show SMILES COc1ccc(O)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(c(O)c1)C(C)(C)C Show InChI InChI=1S/C20H23N3O5S/c1-12-19(21-22-23(12)16-10-13(24)6-9-18(16)28-5)29(26,27)14-7-8-15(17(25)11-14)20(2,3)4/h6-11,24-25H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429665 (US10550091, No. LC-74 | US10947203, No. LC-74) Show SMILES COc1ccc(C)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H26N2O3S/c1-14-7-12-19(27-6)18(13-14)20-23-15(2)21(24-20)28(25,26)17-10-8-16(9-11-17)22(3,4)5/h7-13H,1-6H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429652 (US10550091, No. LC-61 | US10947203, No. LC-61) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H22BrN3O4S/c1-20(2,3)13-6-9-15(10-7-13)29(25,26)19-18(21)24(23-22-19)16-12-14(27-4)8-11-17(16)28-5/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429633 (US10550091, No. LC-42 | US10947203, No. LC-42) Show SMILES COc1ccc(Cl)cc1-n1nnc(C(=O)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(20(26)14-6-8-15(9-7-14)21(2,3)4)23-24-25(13)17-12-16(22)10-11-18(17)27-5/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429604 (US10550091, No. LC-13 | US10947203, No. LC-13) Show SMILES COc1cc(c(OC)cc1C(C)C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C24H31N3O4S/c1-15(2)19-13-22(31-8)20(14-21(19)30-7)27-16(3)23(25-26-27)32(28,29)18-11-9-17(10-12-18)24(4,5)6/h9-15H,1-8H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429668 (US10550091, No. LC-77 | US10947203, No. LC-77) Show SMILES COc1ccc(C)cc1-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O3S/c1-15-8-13-20(28-7)19(14-15)21-24-16(2)22(25(21)6)29(26,27)18-11-9-17(10-12-18)23(3,4)5/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429617 (US10550091, No. LC-26 | US10947203, No. LC-26) Show SMILES COc1cc(C(C)=O)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O4S/c1-14-12-20(21(30-7)13-19(14)16(3)27)26-15(2)22(24-25-26)31(28,29)18-10-8-17(9-11-18)23(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429596 (US10550091, No. LC-5 | US10947203, No. LC-5) Show SMILES COc1ccc(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H25N3O3S/c1-14-7-12-19(27-6)18(13-14)24-15(2)20(22-23-24)28(25,26)17-10-8-16(9-11-17)21(3,4)5/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429601 (US10550091, No. LC-10 | US10947203, No. LC-10) Show SMILES COc1cc(c(OC)cc1Br)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O4S/c1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429659 (US10550091, No. LC-68 | US10947203, No. LC-68) Show SMILES COc1ccc(C)cc1-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24N2O3S/c1-14-6-11-18(26-5)17(12-14)20-22-13-19(23-20)27(24,25)16-9-7-15(8-10-16)21(2,3)4/h6-13H,1-5H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86.5	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429618 (US10550091, No. LC-27 | US10947203, No. LC-27) Show SMILES COc1cc(C#N)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H24N4O3S/c1-14-11-19(20(29-6)12-16(14)13-23)26-15(2)21(24-25-26)30(27,28)18-9-7-17(8-10-18)22(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429605 (US10550091, No. LC-14 | US10947203, No. LC-14) Show SMILES COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429631 (US10550091, No. LC-40 | US10947203, No. LC-40) Show SMILES COc1ccc(OC)c(c1)-n1nnc(C(=O)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C22H25N3O3/c1-14-20(21(26)15-7-9-16(10-8-15)22(2,3)4)23-24-25(14)18-13-17(27-5)11-12-19(18)28-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429603 (US10550091, No. LC-12 | US10947203, No. LC-12) Show SMILES CCc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H29N3O4S/c1-8-16-13-21(30-7)19(14-20(16)29-6)26-15(2)22(24-25-26)31(27,28)18-11-9-17(10-12-18)23(3,4)5/h9-14H,8H2,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429673 (US10550091, No. LC-82 | US10550091, No. LC-88 | US...) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(c(O)c1)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)17-11-14(28-5)7-10-19(17)29-6)30(26,27)15-8-9-16(18(25)12-15)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429614 (US10550091, No. LC-23 | US10947203, No. LC-23) Show SMILES COc1cc(C(C)C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C24H31N3O3S/c1-15(2)20-14-22(30-8)21(13-16(20)3)27-17(4)23(25-26-27)31(28,29)19-11-9-18(10-12-19)24(5,6)7/h9-15H,1-8H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429622 (US10550091, No. LC-31 | US10947203, No. LC-31) Show SMILES CCc1cc(OC)c(cc1Cl)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H26ClN3O3S/c1-7-15-12-20(29-6)19(13-18(15)23)26-14(2)21(24-25-26)30(27,28)17-10-8-16(9-11-17)22(3,4)5/h8-13H,7H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429602 (US10550091, No. LC-11 | US10947203, No. LC-11) Show SMILES COc1cc(c(OC)cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O4S/c1-14-12-20(29-7)18(13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429610 (US10550091, No. LC-19 | US10947203, No. LC-19) Show SMILES COc1cc(Cl)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24ClN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429666 (US10550091, No. LC-75 | US10947203, No. LC-75) Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429598 (US10550091, No. LC-7 | US10947203, No. LC-7) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H22ClN3O3S/c1-13-19(22-23-24(13)17-12-15(21)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429642 (US10550091, No. LC-51 | US10947203, No. LC-51) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1C#N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H19ClN4O3S/c1-20(2,3)13-5-8-15(9-6-13)29(26,27)19-17(12-22)25(24-23-19)16-11-14(21)7-10-18(16)28-4/h5-11H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429677 (US10550091, No. LC-86 | US10947203, No. LC-86) Show SMILES COc1ccc(O)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13-19(21-22-23(13)17-12-15(27-5)8-11-18(17)24)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12,24H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429639 (US10550091, No. LC-48 | US10947203, No. LC-48) Show SMILES COc1ccc(Cl)cc1-n1nnc(N(C)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C21H25ClN4O/c1-14-20(25(5)17-10-7-15(8-11-17)21(2,3)4)23-24-26(14)18-13-16(22)9-12-19(18)27-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429646 (US10550091, No. LC-55 | US10947203, No. LC-55) Show SMILES CCc1c(nnn1-c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O4S/c1-7-18-21(30(26,27)17-11-8-15(9-12-17)22(2,3)4)23-24-25(18)19-14-16(28-5)10-13-20(19)29-6/h8-14H,7H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429653 (US10550091, No. LC-62 | US10947203, No. LC-62) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H19BrClN3O3S/c1-19(2,3)12-5-8-14(9-6-12)28(25,26)18-17(20)24(23-22-18)15-11-13(21)7-10-16(15)27-4/h5-11H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429613 (US10550091, No. LC-22 | US10947203, No. LC-22) Show SMILES CCc1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H29N3O3S/c1-8-17-14-21(29-7)20(13-15(17)2)26-16(3)22(24-25-26)30(27,28)19-11-9-18(10-12-19)23(4,5)6/h9-14H,8H2,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429677 (US10550091, No. LC-86 | US10947203, No. LC-86) Show SMILES COc1ccc(O)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13-19(21-22-23(13)17-12-15(27-5)8-11-18(17)24)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12,24H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429652 (US10550091, No. LC-61 | US10947203, No. LC-61) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H22BrN3O4S/c1-20(2,3)13-6-9-15(10-7-13)29(25,26)19-18(21)24(23-22-19)16-12-14(27-4)8-11-17(16)28-5/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429657 (US10550091, No. LC-66 | US10947203, No. LC-66) Show SMILES COC(=O)Cc1c(nnn1-c1cc(C)ccc1OC)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-15-7-12-20(30-5)18(13-15)26-19(14-21(27)31-6)22(24-25-26)32(28,29)17-10-8-16(9-11-17)23(2,3)4/h7-13H,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429653 (US10550091, No. LC-62 | US10947203, No. LC-62) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H19BrClN3O3S/c1-19(2,3)12-5-8-14(9-6-12)28(25,26)18-17(20)24(23-22-18)15-11-13(21)7-10-16(15)27-4/h5-11H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429637 (US10550091, No. LC-46 | US10947203, No. LC-46) Show SMILES COc1ccc(OC)c(c1)-n1nnc(N(C)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C22H28N4O2/c1-15-21(25(5)17-10-8-16(9-11-17)22(2,3)4)23-24-26(15)19-14-18(27-6)12-13-20(19)28-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429658 (US10550091, No. LC-67 | US10947203, No. LC-67) Show SMILES COc1ccc(OC)c(c1)-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24N2O4S/c1-21(2,3)14-6-9-16(10-7-14)28(24,25)19-13-22-20(23-19)17-12-15(26-4)8-11-18(17)27-5/h6-13H,1-5H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair

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