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BDBM50162783 CHEMBL179825::{4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-phenyl}-acetic acid methyl ester

SMILES: COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1

InChI Key: InChIKey=GMYMOUHNOWZKMI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50162783   
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))
BDBM50162783
PNG
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162783
PNG
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair