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BDBM50342130 3-[4-(6-Hydroxy-naphthalen-2-ylamino)-phenyl]-3-imidazol-1-yl-2,2-dimethyl-propionic Acid Methyl Ester::CHEMBL1766007

SMILES: COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1

InChI Key: InChIKey=LEUDBINZIYAHLU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50342130   
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 P450 26A1


(Homo sapiens (Human))
BDBM50342130
PNG
(3-[4-(6-Hydroxy-naphthalen-2-ylamino)-phenyl]-3-im...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O3/c1-25(2,24(30)31-3)23(28-13-12-26-16-28)17-4-8-20(9-5-17)27-21-10-6-19-15-22(29)11-7-18(19)14-21/h4-16,23,27,29H,1-3H3
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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)


Article DOI: 10.1021/jm101583w
BindingDB Entry DOI: 10.7270/Q2TT4R8J
More data for this
Ligand-Target Pair