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BDBM50092055 (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide::(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide::3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide::4-hydroxyphenyl retinamide::CHEMBL7301::FENRETINIDE::N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE::N-(4-hydroxyphenyl)-retinamide::N-(4-hydroxyphenyl)retinamide::N-(4-hydroxyphenyl)retinamide, 4-HPR

SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1

InChI Key: InChIKey=AKJHMTWEGVYYSE-FXILSDISSA-N

Data: 4 KI  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50092055   
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 (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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>400n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor gamma


Bioorg Med Chem Lett 11: 1583-6 (2001)


BindingDB Entry DOI: 10.7270/Q20R9NQW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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>2.20E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR alpha


Bioorg Med Chem Lett 12: 2447-50 (2002)


BindingDB Entry DOI: 10.7270/Q29K49JP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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>2.80E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR beta


Bioorg Med Chem Lett 12: 2447-50 (2002)


BindingDB Entry DOI: 10.7270/Q29K49JP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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>6.00E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 12: 2447-50 (2002)


BindingDB Entry DOI: 10.7270/Q29K49JP
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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Article
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n/an/an/an/a 2.37E+3n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 2


(Mus musculus)
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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n/an/a 1.87E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...


Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50092055
PNG
((2E,4E,6E,8E)-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)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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PubMed
n/an/a 5.99E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...


Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair