Found 20 hits of Enzyme Inhibition Constant Data 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 |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123615
(CHEMBL3622720)Show SMILES CC(C)C1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1CC1 |t:3| Show InChI InChI=1S/C22H30O2/c1-15(2)22-19(9-6-10-20(22)18-11-12-18)13-16(3)7-5-8-17(4)14-21(23)24/h5,7-8,13-15,18H,6,9-12H2,1-4H3,(H,23,24)/b8-5+,16-7-,17-14+,19-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123614
(CHEMBL3622723)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1CC1 |t:5| Show InChI InChI=1S/C24H34O2/c1-17(2)11-14-23-21(9-6-10-22(23)20-12-13-20)15-18(3)7-5-8-19(4)16-24(25)26/h5,7-8,15-17,20H,6,9-14H2,1-4H3,(H,25,26)/b8-5+,18-7-,19-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123611
(CHEMBL3622721)Show SMILES CC(C)C1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C25H30O2/c1-18(2)25-22(14-9-15-23(25)21-12-6-5-7-13-21)16-19(3)10-8-11-20(4)17-24(26)27/h5-8,10-13,16-18H,9,14-15H2,1-4H3,(H,26,27)/b11-8+,19-10-,20-17+,22-16+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50445062
(CHEMBL3098771)Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123616
(CHEMBL3622719)Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCCc2ccccc12)=C\C(O)=O Show InChI InChI=1S/C21H24O2/c1-16(8-7-9-17(2)15-21(22)23)14-19-12-4-3-10-18-11-5-6-13-20(18)19/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,22,23)/b9-7+,16-8-,17-15+,19-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123610
(CHEMBL3622725)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1 |t:5| Show InChI InChI=1S/C27H34O2/c1-20(2)16-17-26-24(14-9-15-25(26)23-12-6-5-7-13-23)18-21(3)10-8-11-22(4)19-27(28)29/h5-8,10-13,18-20H,9,14-17H2,1-4H3,(H,28,29)/b11-8+,21-10-,22-19+,24-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123611
(CHEMBL3622721)Show SMILES CC(C)C1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C25H30O2/c1-18(2)25-22(14-9-15-23(25)21-12-6-5-7-13-21)16-19(3)10-8-11-20(4)17-24(26)27/h5-8,10-13,16-18H,9,14-15H2,1-4H3,(H,26,27)/b11-8+,19-10-,20-17+,22-16+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 215 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123609
(CHEMBL3622724)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |t:5| Show InChI InChI=1S/C24H36O2/c1-17(2)13-14-23-21(11-8-12-22(23)18(3)4)15-19(5)9-7-10-20(6)16-24(25)26/h7,9-10,15-18H,8,11-14H2,1-6H3,(H,25,26)/b10-7+,19-9-,20-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123610
(CHEMBL3622725)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1 |t:5| Show InChI InChI=1S/C27H34O2/c1-20(2)16-17-26-24(14-9-15-25(26)23-12-6-5-7-13-23)18-21(3)10-8-11-22(4)19-27(28)29/h5-8,10-13,18-20H,9,14-17H2,1-4H3,(H,28,29)/b11-8+,21-10-,22-19+,24-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 118 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at RXRalpha LBD (unknown origin) expressed in CV1 cells |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123612
(CHEMBL3622722)Show SMILES CCC1=C(CCC(C)C)\C(CCC1)=C\C(\C)=C/C=C/C(/C)=C/C(O)=O |c:2| Show InChI InChI=1S/C23H34O2/c1-6-20-11-8-12-21(22(20)14-13-17(2)3)15-18(4)9-7-10-19(5)16-23(24)25/h7,9-10,15-17H,6,8,11-14H2,1-5H3,(H,24,25)/b10-7+,18-9-,19-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123614
(CHEMBL3622723)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1CC1 |t:5| Show InChI InChI=1S/C24H34O2/c1-17(2)11-14-23-21(9-6-10-22(23)20-12-13-20)15-18(3)7-5-8-19(4)16-24(25)26/h5,7-8,15-17,20H,6,9-14H2,1-4H3,(H,25,26)/b8-5+,18-7-,19-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123616
(CHEMBL3622719)Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCCc2ccccc12)=C\C(O)=O Show InChI InChI=1S/C21H24O2/c1-16(8-7-9-17(2)15-21(22)23)14-19-12-4-3-10-18-11-5-6-13-20(18)19/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,22,23)/b9-7+,16-8-,17-15+,19-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123615
(CHEMBL3622720)Show SMILES CC(C)C1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1CC1 |t:3| Show InChI InChI=1S/C22H30O2/c1-15(2)22-19(9-6-10-20(22)18-11-12-18)13-16(3)7-5-8-17(4)14-21(23)24/h5,7-8,13-15,18H,6,9-12H2,1-4H3,(H,23,24)/b8-5+,16-7-,17-14+,19-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD by fluorescence quenching method |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123610
(CHEMBL3622725)Show SMILES CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1 |t:5| Show InChI InChI=1S/C27H34O2/c1-20(2)16-17-26-24(14-9-15-25(26)23-12-6-5-7-13-23)18-21(3)10-8-11-22(4)19-27(28)29/h5-8,10-13,18-20H,9,14-17H2,1-4H3,(H,28,29)/b11-8+,21-10-,22-19+,24-18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50123612
(CHEMBL3622722)Show SMILES CCC1=C(CCC(C)C)\C(CCC1)=C\C(\C)=C/C=C/C(/C)=C/C(O)=O |c:2| Show InChI InChI=1S/C23H34O2/c1-6-20-11-8-12-21(22(20)14-13-17(2)3)15-18(4)9-7-10-19(5)16-23(24)25/h7,9-10,15-17H,6,8,11-14H2,1-5H3,(H,24,25)/b10-7+,18-9-,19-16+,21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual lucifer... |
J Med Chem 58: 7763-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00829 BindingDB Entry DOI: 10.7270/Q2J38VDC |
More data for this Ligand-Target Pair | |