Found 506 hits with Last Name = 'chai' and Initial = 'sc' 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 3
(Homo sapiens (Human)) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity Assay |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609814
(CHEMBL5284539)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609809
(CHEMBL5286515)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609818
(CHEMBL5277255)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609814
(CHEMBL5284539)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609793
(CHEMBL5290088)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Br)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609813
(CHEMBL5281952)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609810
(CHEMBL5282848)Show SMILES CCC(C)COc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609816
(CHEMBL5285451)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609818
(CHEMBL5277255)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609819
(CHEMBL5274748)Show SMILES CCC[C@@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146170
(CHEMBL3763793)Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCCCC1 Show InChI InChI=1S/C27H29N3O3/c31-26(19-29-16-6-7-17-29)30-24-11-5-4-8-20(24)12-13-21-14-15-22(18-25(21)30)28-27(32)33-23-9-2-1-3-10-23/h4-8,11,14-18,23H,1-3,9-10,12-13,19H2,(H,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609811
(CHEMBL5288280)Show SMILES COc1ccc(OC)c(c1)-n1nnc(C(=O)Nc2cc(ccc2OCCC(C)C)C(C)(C)C)c1C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609810
(CHEMBL5282848)Show SMILES CCC(C)COc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609796
(CHEMBL5274800)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146171
(CHEMBL3763399)Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCCC1 Show InChI InChI=1S/C26H27N3O3/c30-25(18-28-15-5-6-16-28)29-23-10-4-1-7-19(23)11-12-20-13-14-21(17-24(20)29)27-26(31)32-22-8-2-3-9-22/h1,4-7,10,13-17,22H,2-3,8-9,11-12,18H2,(H,27,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609814
(CHEMBL5284539)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609809
(CHEMBL5286515)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609828
(CHEMBL5284102)Show SMILES COc1ccc(OC)c(c1)-n1nnc(C(=O)Nc2cc(cc(c2)C(C)(C)C)-c2ccccc2)c1C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609815
(CHEMBL5286999)Show SMILES CCC[C@@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609812
(CHEMBL5289969)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609817
(CHEMBL5277006)Show SMILES CCC[C@@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609792
(CHEMBL5269977)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609798
(CHEMBL5290100)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1Cl)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609813
(CHEMBL5281952)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(C)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609816
(CHEMBL5285451)Show SMILES CCC[C@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146179
(CHEMBL3763536)Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCCC3)c2c1 Show InChI InChI=1S/C25H30N2O4/c1-17(2)31-25(29)26-20-14-13-19-12-11-18-7-3-6-10-22(18)27(23(19)15-20)24(28)16-30-21-8-4-5-9-21/h3,6-7,10,13-15,17,21H,4-5,8-9,11-12,16H2,1-2H3,(H,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146172
(CHEMBL3763664)Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCC1 Show InChI InChI=1S/C25H25N3O3/c29-24(17-27-14-3-4-15-27)28-22-9-2-1-6-18(22)10-11-19-12-13-20(16-23(19)28)26-25(30)31-21-7-5-8-21/h1-4,6,9,12-16,21H,5,7-8,10-11,17H2,(H,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609812
(CHEMBL5289969)Show SMILES CCCC(C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146182
(CHEMBL3765064)Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COCC(C)(C)C)c2c1 Show InChI InChI=1S/C25H32N2O4/c1-17(2)31-24(29)26-20-13-12-19-11-10-18-8-6-7-9-21(18)27(22(19)14-20)23(28)15-30-16-25(3,4)5/h6-9,12-14,17H,10-11,15-16H2,1-5H3,(H,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146189
(CHEMBL3764750)Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1 Show InChI InChI=1S/C24H25N3O3/c1-17(2)30-24(29)25-20-12-11-19-10-9-18-7-3-4-8-21(18)27(22(19)15-20)23(28)16-26-13-5-6-14-26/h3-8,11-15,17H,9-10,16H2,1-2H3,(H,25,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
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
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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)) | BDBM50609781
(CHEMBL5276468)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609791
(CHEMBL5271698)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(F)ccc1OC)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609743
(CHEMBL5316222)Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)Nc1ccc(cc1)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146173
(CHEMBL3763725)Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CC1 Show InChI InChI=1S/C24H23N3O3/c28-23(16-26-13-3-4-14-26)27-21-6-2-1-5-17(21)7-8-18-9-10-19(15-22(18)27)25-24(29)30-20-11-12-20/h1-6,9-10,13-15,20H,7-8,11-12,16H2,(H,25,29) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146178
(CHEMBL3764168)Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCCCC3)c2c1 Show InChI InChI=1S/C26H32N2O4/c1-18(2)32-26(30)27-21-15-14-20-13-12-19-8-6-7-11-23(19)28(24(20)16-21)25(29)17-31-22-9-4-3-5-10-22/h6-8,11,14-16,18,22H,3-5,9-10,12-13,17H2,1-2H3,(H,27,30) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
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
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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)) | BDBM50609781
(CHEMBL5276468)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609815
(CHEMBL5286999)Show SMILES CCC[C@@H](C)Oc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C |r| | PDB
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TBA
| |
Citation and Details
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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
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609783
(CHEMBL5277482)Show SMILES CCCCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609780
(CHEMBL5291207)Show SMILES CCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C | PDB
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| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50609803
(CHEMBL5280042)Show SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1ccccc1OC)C(C)(C)C | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ... |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146174
(CHEMBL3764583)Show SMILES CC(C)(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1 Show InChI InChI=1S/C25H27N3O3/c1-25(2,3)31-24(30)26-20-13-12-19-11-10-18-8-4-5-9-21(18)28(22(19)16-20)23(29)17-27-14-6-7-15-27/h4-9,12-16H,10-11,17H2,1-3H3,(H,26,30) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146183
(CHEMBL3765692)Show SMILES CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12 Show InChI InChI=1S/C24H30N2O4/c1-5-17(4)29-15-23(27)26-21-9-7-6-8-18(21)10-11-19-12-13-20(14-22(19)26)25-24(28)30-16(2)3/h6-9,12-14,16-17H,5,10-11,15H2,1-4H3,(H,25,28) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
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
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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) |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146323
(CHEMBL3763695)Show SMILES CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1 Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)24-19-12-11-18-10-9-17-7-3-4-8-20(17)26(21(18)15-19)22(27)16-25-13-5-6-14-25/h3-8,11-15H,2,9-10,16H2,1H3,(H,24,28) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 3
(Homo sapiens (Human)) | BDBM50146180
(CHEMBL3764324)Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCC3)c2c1 Show InChI InChI=1S/C24H28N2O4/c1-16(2)30-24(28)25-19-13-12-18-11-10-17-6-3-4-9-21(17)26(22(18)14-19)23(27)15-29-20-7-5-8-20/h3-4,6,9,12-14,16,20H,5,7-8,10-11,15H2,1-2H3,(H,25,28) | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as... |
Eur J Med Chem 108: 505-28 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6 |
More data for this
Ligand-Target Pair | |
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