Compile Data Set for Download or QSAR
Found 312 of ec50 for UniProtKB: P10826
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032218(5-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/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+
Affinity DataEC50: >0.00100nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032225(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+
Affinity DataEC50: >0.00100nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032224(3-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O2/c1-16(12-18-8-7-9-19(14-18)23(26)27)20-15-22-21(13-17(20)2)24(3,4)10-11-25(22,5)6/h7-9,12-15H,10-11H2,1-6H3,(H,26,27)/b16-12+
Affinity DataEC50: >0.00100nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50265920(4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
Affinity DataEC50:  0.300nMAssay Description:Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM323587(4-[(E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2...)
Show SMILES CC(=Cc1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
Affinity DataEC50:  0.300nMAssay Description:Retinoid nuclear receptor activity is associated with transduction of the non-visual physiologic, pharmacologic, and toxicologic retinoid signals tha...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50282691(4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1cc2c(cc1\C=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16-14-20-21(24(4,5)13-12-23(20,2)3)15-19(16)11-8-17-6-9-18(10-7-17)22(25)26/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b11-8+
Affinity DataEC50:  0.400nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50282692(4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C23H26O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/b6-5+
Affinity DataEC50:  0.400nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50045276(4-[(E)-1-Methyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES C\C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2/c1-16(18-7-9-19(10-8-18)22(25)26)14-17-6-11-20-21(15-17)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  0.5nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50265951(CHEMBL1657 | TAZAROTENE | US9963439, Tazarotene | ...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
Affinity DataEC50:  0.800nMAssay Description:Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1nMAssay Description:Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor beta using transactivation...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1.5nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1.5nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1.5nMAssay Description:Transcriptional activation of retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31883(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
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+
Affinity DataEC50:  1.5nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM323588(Retinoic Acid | US10188615, at-RA | US10752616, Co...)
Show SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O
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+
Affinity DataEC50:  1.88nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458145(US10752616, Code No. BHBA-008)
Show SMILES Cc1c(oc2c(C)ccc(C)c12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)16-15(10)12(3)17(25-16)19-21-18(22-26-19)13-6-8-14(9-7-13)20(23)24/h4-9H,1-3H3,(H,23,24)
Affinity DataEC50:  1.90nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50526314(CHEMBL4459692 | US10752616, Code No. BHBA-001)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
Affinity DataEC50:  1.94nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50048280(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
Affinity DataEC50:  2nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458233(US10752616, Code No. BHBA-014)
Show SMILES OC(=O)c1ccc(cc1F)-c1noc(n1)-c1cc2c(Cl)ccc(Cl)c2o1
Show InChI InChI=1S/C17H7Cl2FN2O4/c18-10-3-4-11(19)14-9(10)6-13(25-14)16-21-15(22-26-16)7-1-2-8(17(23)24)12(20)5-7/h1-6H,(H,23,24)
Affinity DataEC50:  2nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458286(US10752616, Code No. BHBA-044)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H13FN2O3S/c1-9-3-4-10(2)16-13(9)8-15(25-16)17-21-18(26-22-17)11-5-6-12(19(23)24)14(20)7-11/h3-8H,1-2H3,(H,23,24)
Affinity DataEC50:  2nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50097824(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)
Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1
Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+
Affinity DataEC50:  2nMAssay Description:Transcriptional activation of retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50526314(CHEMBL4459692 | US10752616, Code No. BHBA-001)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
Affinity DataEC50:  2.10nMAssay Description:Transactivation of GAL4 DBD-fused human RARbeta-LBD expressed in HEK293 cells by beta-lactamase reporter gene based assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052033((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
Affinity DataEC50:  2.20nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50052033((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
Affinity DataEC50:  2.20nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50526312(CHEMBL4449668 | US10752616, Code No. BHBA-007)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H13FN2O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)11-5-6-12(19(23)24)14(20)7-11/h3-8H,1-2H3,(H,23,24)
Affinity DataEC50:  2.20nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50526315(CHEMBL4439399 | US10752616, Code No. BHBA-019)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F
Show InChI InChI=1S/C18H8F4N2O4/c19-12-6-5-11(18(20,21)22)10-7-13(27-14(10)12)16-23-15(24-28-16)8-1-3-9(4-2-8)17(25)26/h1-7H,(H,25,26)
Affinity DataEC50:  2.5nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50457542(CHEMBL4212472)
Show SMILES CC1(C)CCSc2ccc(cc12)C#Cc1cccc(n1)C(O)=O
Show InChI InChI=1S/C19H17NO2S/c1-19(2)10-11-23-17-9-7-13(12-15(17)19)6-8-14-4-3-5-16(20-14)18(21)22/h3-5,7,9,12H,10-11H2,1-2H3,(H,21,22)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458251(US10752616, Code No. BHBA-016)
Show SMILES Cc1ccc(Cl)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H11ClN2O4/c1-9-2-7-13(19)12-8-14(24-15(9)12)17-20-16(21-25-17)10-3-5-11(6-4-10)18(22)23/h2-8H,1H3,(H,22,23)
Affinity DataEC50:  2.70nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458152(US10752616, Code No. BHBA-010)
Show SMILES CC(C)c1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18N2O4/c1-11(2)15-9-4-12(3)18-16(15)10-17(26-18)20-22-19(23-27-20)13-5-7-14(8-6-13)21(24)25/h4-11H,1-3H3,(H,24,25)
Affinity DataEC50:  2.90nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458240(US10752616, Code No. BHBA-015)
Show SMILES Cc1ccc(Cl)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H11ClN2O4/c1-9-2-7-13(19)15-12(9)8-14(24-15)17-20-16(21-25-17)10-3-5-11(6-4-10)18(22)23/h2-8H,1H3,(H,22,23)
Affinity DataEC50:  2.90nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  3nMAssay Description:Binding affinity against retinoic Acid beta receptors cotransfected into CV-1 cellsMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  3nMAssay Description:Agonist activity for retinoic acid receptor RAR beta in transcriptional activation assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31892(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
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+
Affinity DataEC50:  3nMAssay Description:Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  3nMAssay Description:Transactivation potency of the compound was determined for Retinoic acid receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50290184(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-12-9-18(15-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
Affinity DataEC50:  3nMAssay Description:Binding affinity of the compound was determined for Retinoic acid receptor alphaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458284(US10752616, Code No. BHBA-042)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O3S/c1-10-3-4-11(2)16-14(10)9-15(24-16)17-20-18(25-21-17)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
Affinity DataEC50:  3.10nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31892(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
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+
Affinity DataEC50:  3.30nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31892(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
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+
Affinity DataEC50:  3.30nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM31892(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
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+
Affinity DataEC50:  3.30nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50064254((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
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+
Affinity DataEC50:  3.30nMAssay Description:Transcriptional activation of retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50526325(CHEMBL4438880 | US10752616, Code No. BHBA-021)
Show SMILES Cc1ccc(C)c2sc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H14N2O3S/c1-10-3-4-11(2)16-14(10)9-15(25-16)18-20-17(21-24-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
Affinity DataEC50:  3.40nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458281(US10752616, Code No. BHBA-039)
Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(ns1)-c1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C19H13ClN2O3S/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,1-2H3,(H,23,24)
Affinity DataEC50:  3.60nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50457552(CHEMBL4210595)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H34O4/c1-29(2)14-15-30(3,4)26-19-23(10-12-25(26)29)24-18-22(11-13-27(24)34-17-5-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,5,14-17H2,1-4H3,(H,32,33)
Affinity DataEC50:  3.80nMAssay Description:Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50290179(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-12-9-17(13-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
Affinity DataEC50:  4nMAssay Description:Binding affinity of the compound was determined for Retinoic acid receptor betaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  4nMAssay Description:Transcriptional activation of retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  4nMAssay Description:Transcriptional activation of Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM458287(US10752616, Code No. BHBA-045)
Show SMILES Cc1cc(Cl)c(C)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H13ClN2O4/c1-9-7-14(20)10(2)13-8-15(25-16(9)13)18-21-17(22-26-18)11-3-5-12(6-4-11)19(23)24/h3-8H,1-2H3,(H,23,24)
Affinity DataEC50:  4nMAssay Description:Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50032219((E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydrona...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Affinity DataEC50:  4nMAssay Description:Transcriptional activation for RAR beta receptorMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50290178(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
Affinity DataEC50:  4nMAssay Description:Transactivation potency of the compound was determined for Retinoic acid receptor betaMore data for this Ligand-Target Pair
In DepthDetails Article
Displayed 1 to 50 (of 312 total ) | Next | Last >>
Jump to: