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BDBM50048293 4-{(E)-2-[4-Hydroxy-3-(1-methyl-cyclohexyl)-phenyl]-propenyl}-benzoic acid::CHEMBL345022

SMILES: C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1

InChI Key: InChIKey=BRIDULNVONKRHN-JQIJEIRASA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048293   
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 receptor


(Homo sapiens)
BDBM50048293
PNG
(4-{(E)-2-[4-Hydroxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1
Show InChI InChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
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PubMed
27n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50048293
PNG
(4-{(E)-2-[4-Hydroxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1
Show InChI InChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
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90n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


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


(Homo sapiens)
BDBM50048293
PNG
(4-{(E)-2-[4-Hydroxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1
Show InChI InChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
PDB
MMDB

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PubMed
1.06E+3n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair