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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor beta' and Ligand = 'BDBM50032675'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032675
PNG
(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)
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Article
PubMed
50n/an/an/an/an/an/an/an/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
PNG
(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)
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Article
>550n/an/an/an/an/an/an/an/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
PNG
(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)
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>800n/an/an/an/an/an/an/an/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
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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>1.00E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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5.35E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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n/an/an/an/a>1.00E+4n/an/an/an/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
PNG
(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)
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n/an/an/an/a>1.00E+4n/an/an/an/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
PNG
(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)
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n/an/an/a>1.00E+3n/an/an/an/an/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
PNG
(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)
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PubMed
n/an/an/an/a 282n/an/an/an/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