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BDBM50063074 CHEMBL3398406

SMILES: CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(oc1C)C(C)(C)C

InChI Key: InChIKey=FXCLQYZAEAKOQB-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063074   
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))
BDBM50063074
PNG
(CHEMBL3398406)
Show SMILES CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(oc1C)C(C)(C)C
Show InChI InChI=1/C22H29NO4/c1-13(2)15-7-9-16(10-8-15)18(12-20(24)25)23-21(26)17-11-19(22(4,5)6)27-14(17)3/h7-11,13,18H,12H2,1-6H3,(H,23,26)(H,24,25)
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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.07E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins using ATRA and NADPH by HPLC method


Bioorg Med Chem 23: 1356-65 (2015)


Article DOI: 10.1016/j.bmc.2014.11.036
BindingDB Entry DOI: 10.7270/Q2416ZQG
More data for this
Ligand-Target Pair