new BindingDB logo
myBDB logout

BDBM50158411 (2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-cyclohex-1-enyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide::4-((+/-)-(1H-imidazol-1-yl)-N-(4-hydroxyphenyl)-(E)-retinamide::9-(3-(1H-imidazol-1-yl)-2,6,6-trimethylcyclohex-1-enyl)-N-(4-hydroxyphenyl)-3,7-dimethylnona-2,4,6,8-tetraenamide::CHEMBL190837

SMILES: C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1

InChI Key: InChIKey=JHEWGPADVYIQFU-LBTWASEZSA-N

Data: 2 IC50

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 2 hits for monomerid = 50158411   
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
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158411
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C29H35N3O2/c1-21(7-6-8-22(2)19-28(34)31-24-10-12-25(33)13-11-24)9-14-26-23(3)27(15-16-29(26,4)5)32-18-17-30-20-32/h6-14,17-20,27,33H,15-16H2,1-5H3,(H,31,34)/b8-6+,14-9+,21-7+,22-19+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158411
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C29H35N3O2/c1-21(7-6-8-22(2)19-28(34)31-24-10-12-25(33)13-11-24)9-14-26-23(3)27(15-16-29(26,4)5)32-18-17-30-20-32/h6-14,17-20,27,33H,15-16H2,1-5H3,(H,31,34)/b8-6+,14-9+,21-7+,22-19+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair