Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'wright' and Initial = 'wc'   

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
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429515 (US10550091, No. LC-1 | US10947203, No. LC-1) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H25N3O4S/c1-14-20(29(25,26)17-10-7-15(8-11-17)21(2,3)4)22-23-24(14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575435 (CHEMBL4846228) Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575432 (CHEMBL4857525) Show SMILES COc1ccc(Br)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A4 overexpressing human AsPC1 cells assessed as decrease in...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429628 (US10550091, No. LC-37 | US10947203, No. LC-37) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O4S/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,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429515 (US10550091, No. LC-1 | US10947203, No. LC-1) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H25N3O4S/c1-14-20(29(25,26)17-10-7-15(8-11-17)21(2,3)4)22-23-24(14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 expressed in supersomes assessed as decrease in formation of D-luciferin using luciferin-IPA as substrate incu...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429641 (US10550091, No. LC-50 | US10947203, No. LC-50) Show SMILES COc1ccc(C)cc1-n1nnc(c1C#N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H22N4O3S/c1-14-6-11-19(28-5)17(12-14)25-18(13-22)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(2,3)4/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575432 (CHEMBL4857525) Show SMILES COc1ccc(Br)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575430 (CHEMBL4853694) Show SMILES CCCCOC(C)(C)c1ccc(cc1)S(=O)(=O)c1nnn(c1C)-c1cc(OC)ccc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429515 (US10550091, No. LC-1 | US10947203, No. LC-1) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H25N3O4S/c1-14-20(29(25,26)17-10-7-15(8-11-17)21(2,3)4)22-23-24(14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429644 (US10550091, No. LC-53 | US10947203, No. LC-53) Show SMILES COc1ccc(C)cc1-n1nnc(c1C(C)=O)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H25N3O4S/c1-14-7-12-19(29-6)18(13-14)25-20(15(2)26)21(23-24-25)30(27,28)17-10-8-16(9-11-17)22(3,4)5/h7-13H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429640 (US10550091, No. LC-49 | US10947203, No. LC-49) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C#N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H22N4O4S/c1-21(2,3)14-6-9-16(10-7-14)30(26,27)20-18(13-22)25(24-23-20)17-12-15(28-4)8-11-19(17)29-5/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575434 (CHEMBL4861132) Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429619 (US10550091, No. LC-28 | US10947203, No. LC-28) Show SMILES COc1cc(Cl)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21Cl2N3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-10-15(21)16(22)11-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575435 (CHEMBL4846228) Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575432 (CHEMBL4857525) Show SMILES COc1ccc(Br)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575431 (CHEMBL4868841) Show SMILES COc1ccc(F)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575429 (CHEMBL4859314) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429645 (US10550091, No. LC-54 | US10947203, No. LC-54) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1C(C)=O)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H22ClN3O4S/c1-13(26)19-20(23-24-25(19)17-12-15(22)8-11-18(17)29-5)30(27,28)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575433 (CHEMBL4850074) Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50575435 (CHEMBL4846228) Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429624 (US10550091, No. LC-33 | US10947203, No. LC-33) Show SMILES COc1cc(OC)c(cc1Cl)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24ClN3O4S/c1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-11-16(22)18(28-5)12-19(17)29-6/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429651 (US10550091, No. LC-60 | US10947203, No. LC-60) Show SMILES COc1ccc(Cl)cc1-n1cc(nn1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H20ClN3O3S/c1-19(2,3)13-5-8-15(9-6-13)27(24,25)18-12-23(22-21-18)16-11-14(20)7-10-17(16)26-4/h5-12H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429630 (US10550091, No. LC-39 | US10947203, No. LC-39) Show SMILES COc1ccc(Cl)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2,3)12-5-8-14(9-6-12)28(25,26)18-17(21)24(23-22-18)15-11-13(20)7-10-16(15)27-4/h5-11H,21H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429650 (US10550091, No. LC-59 | US10947203, No. LC-59) Show SMILES COc1ccc(C)cc1-n1cc(nn1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H23N3O3S/c1-14-6-11-18(26-5)17(12-14)23-13-19(21-22-23)27(24,25)16-9-7-15(8-10-16)20(2,3)4/h6-13H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429597 (US10550091, No. LC-6 | US10947203, No. LC-6) Show SMILES COc1ccccc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H23N3O3S/c1-14-19(21-22-23(14)17-8-6-7-9-18(17)26-5)27(24,25)16-12-10-15(11-13-16)20(2,3)4/h6-13H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429663 (US10550091, No. LC-72 | US10947203, No. LC-72) Show SMILES COc1ccc(Cl)cc1-c1ncc(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN2O3S/c1-21(2,3)14-6-9-16(10-7-14)28(25,26)19-13-23-20(24(19)4)17-12-15(22)8-11-18(17)27-5/h6-13H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					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	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair

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