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BDBM50290137 (2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-cyclohex-1-enyl)-vinyl]-cyclopropyl}-penta-2,4-dienoic acid::CHEMBL74331

SMILES: C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O

InChI Key: InChIKey=GEYVGEVTMFGWIC-UTLHNGROSA-N

Data: 5 KI

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 5 hits for monomerid = 50290137   
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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50290137
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
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Article
3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2313-2318 (1997)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50290137
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
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Article
11n/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)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50290137
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
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Article
13n/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)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50290137
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
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Article
32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2313-2318 (1997)

More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50290137
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12+
PDB
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Article
>7.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA


Bioorg Med Chem Lett 7: 2313-2318 (1997)

More data for this
Ligand-Target Pair