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BDBM50183240 (R)-3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)ethyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid::CHEMBL204684

SMILES: CN(C)C[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1

InChI Key: InChIKey=VINGQXPBSLYVAK-FQEVSTJZSA-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 = 50183240   
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))
BDBM50183240
PNG
((R)-3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)et...)
Show SMILES CN(C)C[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C22H27N3O3/c1-22(2,21(26)27)14-28-19-8-7-16-11-18(6-5-17(16)12-19)20(13-24(3)4)25-10-9-23-15-25/h5-12,15,20H,13-14H2,1-4H3,(H,26,27)/t20-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 403n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50183240
PNG
((R)-3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)et...)
Show SMILES CN(C)C[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C22H27N3O3/c1-22(2,21(26)27)14-28-19-8-7-16-11-18(6-5-17(16)12-19)20(13-24(3)4)25-10-9-23-15-25/h5-12,15,20H,13-14H2,1-4H3,(H,26,27)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 2729-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair