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BDBM50391721 CHEMBL2146980

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

InChI Key: InChIKey=DZTMMWMGGGEBAA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50391721   
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))		BDBM50391721
PNG
(CHEMBL2146980)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc(C)cc2)cc1)n1ccnc1
Show InChI InChI=1S/C22H25N3O2/c1-16-5-9-18(10-6-16)24-19-11-7-17(8-12-19)20(25-14-13-23-15-25)22(2,3)21(26)27-4/h5-15,20,24H,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...

Bioorg Med Chem 20: 6080-8 (2012)


Article DOI: 10.1016/j.bmc.2012.08.044
BindingDB Entry DOI: 10.7270/Q2D21ZQD
More data for this
Ligand-Target Pair