Found 17 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-gamma' and Ligand = 'BDBM50032675' 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-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoid X receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to RXR gamma receptor |
Bioorg Med Chem Lett 7: 2747-2752 (1997)
Article DOI: 10.1016/S0960-894X(97)10079-8 BindingDB Entry DOI: 10.7270/Q2JW8DW6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB Article
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 7: 2393-2398 (1997)
Article DOI: 10.1016/S0960-894X(97)00437-X BindingDB Entry DOI: 10.7270/Q2FB52XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti... |
J Med Chem 42: 742-50 (1999)
Article DOI: 10.1021/jm980621r BindingDB Entry DOI: 10.7270/Q2K936Q1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity towards Retinoic acid receptor RXR-gamma |
Bioorg Med Chem Lett 7: 2313-2318 (1997)
Article DOI: 10.1016/S0960-894X(97)00420-4 BindingDB Entry DOI: 10.7270/Q2Z89CDD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB PubMed
| n/a | n/a | n/a | n/a | 122 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentrations against Retinoic acid receptor RXR-gamma |
J Med Chem 38: 3368-83 (1995)
BindingDB Entry DOI: 10.7270/Q24748WR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human NK2 receptor expressed in CHO cells assessed as inhibition of Neurokinin A-induced increase in intracellular Ca2+ increa... |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma |
J Med Chem 42: 742-50 (1999)
Article DOI: 10.1021/jm980621r BindingDB Entry DOI: 10.7270/Q2K936Q1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States.
Curated by ChEMBL
| Assay Description Agonist activity at RXRgamma (unknown origin) |
J Med Chem 61: 2166-2210 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity RXRgamma (unknown origin) |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity RXRgamma (unknown origin) |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay. |
J Med Chem 38: 3146-55 (1995)
BindingDB Entry DOI: 10.7270/Q2542MMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay. |
J Med Chem 38: 3146-55 (1995)
BindingDB Entry DOI: 10.7270/Q2542MMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR gamma |
J Med Chem 37: 2930-41 (1994)
BindingDB Entry DOI: 10.7270/Q27080G3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(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
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| DrugBank MMDB PDB Article
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma |
Bioorg Med Chem Lett 7: 2747-2752 (1997)
Article DOI: 10.1016/S0960-894X(97)10079-8 BindingDB Entry DOI: 10.7270/Q2JW8DW6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB Article
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-ATRA binding to retinoic acid receptor RAR beta |
Bioorg Med Chem Lett 7: 2393-2398 (1997)
Article DOI: 10.1016/S0960-894X(97)00437-X BindingDB Entry DOI: 10.7270/Q2FB52XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-gamma
(Mus musculus) | 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
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Effective concentration against retinoid receptor isoform (RXR gamma) expressed in CV-1 cells |
J Med Chem 37: 2930-41 (1994)
BindingDB Entry DOI: 10.7270/Q27080G3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |