BindingDB logo
myBDB logout

null

SMILES: CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C

InChI Key: InChIKey=KQRUCMPFAOHXEQ-WEGNKRRCSA-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 6 hits for monomerid = 50179113   
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))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/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))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/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))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/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-alpha


(Homo sapiens (Human))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 53n/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
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRgamma 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-beta


(Homo sapiens (Human))
BDBM50179113
PNG
((2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dih...)
Show SMILES CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 52n/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