BDBM50158414 (R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6,6-trimethylcyclohex-1-enyl)-3,7-dimethylnona-2,4,6,8-tetraenoate::(S,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6,6-trimethylcyclohex-1-enyl)-3,7-dimethylnona-2,4,6,8-tetraenoate::CHEMBL225621

SMILES COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](n2ccnc2)CCC1(C)C

InChI Key InChIKey=LEOKNFOQHCUMCU-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50158414   

TargetCytochrome P450 26A1(Human)
University of Maryland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50158414BDBM50158414((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Affinity DataIC50: 800nMAssay Description:Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 26A1(Human)
University of Maryland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50158414BDBM50158414((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Affinity DataIC50: 800nMAssay Description:Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 26A1(Human)
University of Maryland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50158414BDBM50158414((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed