Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for assayid = 21 entry = 50030007
TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290192(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
Affinity DataKi:  5nMAssay Description:Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alphaMore data for this Ligand-Target Pair
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TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290187((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
Affinity DataKi:  5nMAssay Description:Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
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TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290188((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
Affinity DataKi:  7nMAssay Description:Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gammaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290186((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
Affinity DataKi:  7nMAssay Description:Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alphaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290193(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
Affinity DataKi:  22nMAssay Description:Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR betaMore data for this Ligand-Target Pair
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TargetRetinoic acid receptor RXR-gamma(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50290189((2E,4E)-3-Methyl-5-[(1S,2S)-4-methylene-2-(5,5,8,8...)
Show SMILES C\C(\C=C\[C@@H]1CC(=C)C[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(15-24(27)28)7-8-19-13-18(2)14-21(19)20-9-10-22-23(16-20)26(5,6)12-11-25(22,3)4/h7-10,15-16,19,21H,2,11-14H2,1,3-6H3,(H,27,28)/b8-7+,17-15+/t19-,21+/m1/s1
Affinity DataKi:  161nMAssay Description:Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alphaMore data for this Ligand-Target Pair
In DepthDetails Article