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SMILES: CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C

InChI Key: InChIKey=GAQGDWHISKJLGD-FMAJSODUSA-N

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 = 50179123   
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))
BDBM50179123
PNG
((2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H37NO3/c1-8-13-26(14-9-10-18(2)15-23(27)28)21-16-19-20(17-22(21)29-7)25(5,6)12-11-24(19,3)4/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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257n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179123
PNG
((2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H37NO3/c1-8-13-26(14-9-10-18(2)15-23(27)28)21-16-19-20(17-22(21)29-7)25(5,6)12-11-24(19,3)4/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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576n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRgamma


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50179123
PNG
((2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H37NO3/c1-8-13-26(14-9-10-18(2)15-23(27)28)21-16-19-20(17-22(21)29-7)25(5,6)12-11-24(19,3)4/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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721n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRbeta


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50179123
PNG
((2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H37NO3/c1-8-13-26(14-9-10-18(2)15-23(27)28)21-16-19-20(17-22(21)29-7)25(5,6)12-11-24(19,3)4/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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n/an/an/an/a 169n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRbeta in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50179123
PNG
((2E,4E)-6-((3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H37NO3/c1-8-13-26(14-9-10-18(2)15-23(27)28)21-16-19-20(17-22(21)29-7)25(5,6)12-11-24(19,3)4/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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PC sid
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n/an/an/an/a 400n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRalpha in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair