Found 10 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor beta' 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 beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 50 | 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 retinoic acid receptor-beta |
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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| >550 | 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 cRARbeta2 receptor by displacing 0.82 nM 3[H]-all-trans-RA |
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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| >800 | 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 cRARbeta2 receptor by displacing 1.1 nM 3[H]-9-cis-RA |
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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| >1.00E+3 | 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]-ATRA binding to RAR beta 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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article
| >1.00E+3 | 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]-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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta |
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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | 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 RARbeta (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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Effective concentration against retinoid receptor isoform (RAR beta) 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 | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR beta |
J Med Chem 37: 2930-41 (1994)
BindingDB Entry DOI: 10.7270/Q27080G3 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor beta
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 282 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressiing Retinoic acid receptor RAR beta |
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 | |