Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50029589 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-beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50285919
(2-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1ncc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H27NO2S/c1-13-9-16-17(22(5,6)8-7-21(16,3)4)11-15(13)14(2)10-19-23-12-18(26-19)20(24)25/h9-12H,7-8H2,1-6H3,(H,24,25)/b14-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50032220
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O2S/c1-14(11-16-7-8-20(26-16)21(24)25)17-13-19-18(12-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)/b14-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50285920
(2-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES C\C(=C/c1ncc(s1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13(10-18-22-12-17(25-18)19(23)24)14-6-7-15-16(11-14)21(4,5)9-8-20(15,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50285918
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES C\C(=C/c1ccc(s1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C22H26O2S/c1-14(12-16-7-9-19(25-16)20(23)24)15-6-8-17-18(13-15)22(4,5)11-10-21(17,2)3/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)/b14-12+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50285921
(3-Dimethylsulfamoyl-2-[(E)-2-(3,5,5,8,8-pentamethy...)Show SMILES CN(C)S(=O)(=O)n1c(\C=C(/C)c2cc3c(cc2C)C(C)(C)CCC3(C)C)ncc1C(O)=O Show InChI InChI=1S/C24H33N3O4S/c1-15-11-18-19(24(5,6)10-9-23(18,3)4)13-17(15)16(2)12-21-25-14-20(22(28)29)27(21)32(30,31)26(7)8/h11-14H,9-10H2,1-8H3,(H,28,29)/b16-12+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50032225
(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O2S/c1-14(9-17-11-16(13-26-17)21(24)25)18-12-20-19(10-15(18)2)22(3,4)7-8-23(20,5)6/h9-13H,7-8H2,1-6H3,(H,24,25)/b14-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50285917
(2-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES CC(=Cc1ncc([nH]1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C |w:2.2| Show InChI InChI=1S/C22H28N2O2/c1-13-9-16-17(22(5,6)8-7-21(16,3)4)11-15(13)14(2)10-19-23-12-18(24-19)20(25)26/h9-12H,7-8H2,1-6H3,(H,23,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50032221
(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H30O2/c1-16(13-18-7-9-19(10-8-18)23(26)27)20-15-22-21(14-17(20)2)24(3,4)11-12-25(22,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,26,27)/b16-13+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay |
Bioorg Med Chem Lett 5: 2729-2734 (1995)
Article DOI: 10.1016/0960-894X(95)00455-3 BindingDB Entry DOI: 10.7270/Q22N527N |
More data for this Ligand-Target Pair | |