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BDBM50401156 CHEMBL2205782

SMILES: CNC(=O)C(C)(C)C(c1ccc(Nc2ccc(Cl)cc2)cc1)n1ccnc1

InChI Key: InChIKey=UQQAUGSCZCQMBX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401156   
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))		BDBM50401156
PNG
(CHEMBL2205782)
Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccc(Cl)cc2)cc1)n1ccnc1
Show InChI InChI=1S/C21H23ClN4O/c1-21(2,20(27)23-3)19(26-13-12-24-14-26)15-4-8-17(9-5-15)25-18-10-6-16(22)7-11-18/h4-14,19,25H,1-3H3,(H,23,27)
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Article
PubMed
n/an/a 1.00E+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 as substrate after 1 hr by scintillation counter analysis

Bioorg Med Chem 20: 4201-7 (2012)


Article DOI: 10.1016/j.bmc.2012.05.076
BindingDB Entry DOI: 10.7270/Q2CZ3895
More data for this
Ligand-Target Pair