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BDBM50063084 CHEMBL3398412

SMILES: Cc1cc(C(=O)NC(CC(O)=O)c2ccccc2Br)c(C)o1

InChI Key: InChIKey=XBBWMQSINIVFNN-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063084   
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))
BDBM50063084
PNG
(CHEMBL3398412)
Show SMILES Cc1cc(C(=O)NC(CC(O)=O)c2ccccc2Br)c(C)o1
Show InChI InChI=1/C16H16BrNO4/c1-9-7-12(10(2)22-9)16(21)18-14(8-15(19)20)11-5-3-4-6-13(11)17/h3-7,14H,8H2,1-2H3,(H,18,21)(H,19,20)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.34E+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