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BDBM50122352 (2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-hexa-2,4-dienoic acid::CHEMBL89058

SMILES: C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O

InChI Key: InChIKey=QCNVQJSKAXKQEF-ZFKNLEDPSA-N

Data: 6 Kd  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50122352   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/a 16n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/an/a 9n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR beta


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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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 human Retinoic acid receptor RAR alpha


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/an/a 36n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing mouse Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/a 18n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expresing human Retinoic acid receptor RAR beta


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against Retinoic acid receptor RAR beta in CV-1 cells


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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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 human Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/an/a 31n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to human Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50122352
PNG
((2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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n/an/an/a 153n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair