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BDBM50032222 6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-nicotinic acid::CHEMBL92926

SMILES: C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C

InChI Key: InChIKey=GAZWXMUOJOGOHH-RVDMUPIBSA-N

Data: 4 EC50

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 4 hits for monomerid = 50032222   
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 alpha


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.69E+3n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 374n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 21n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032222
PNG
(6-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...)
Show SMILES C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15(11-18-8-7-17(14-25-18)22(26)27)19-13-21-20(12-16(19)2)23(3,4)9-10-24(21,5)6/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)/b15-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 105n/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


J Med Chem 38: 2820-9 (1995)


BindingDB Entry DOI: 10.7270/Q2FN157S
More data for this
Ligand-Target Pair