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SMILES: CC(C)COC(=O)C(Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=KRXJOWDVRBTAGW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120460   
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 P450 26A1


(Homo sapiens (Human))		BDBM50120460
PNG
(CHEMBL3617982)
Show SMILES CC(C)COC(=O)C(Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-17(2)15-29-23(28)21(14-26-13-12-24-16-26)25-22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,16-17,21H,14-15H2,1-2H3,(H,25,27)
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PubMed
n/an/a 970n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem 23: 6763-73 (2015)


BindingDB Entry DOI: 10.7270/Q2668G0C
More data for this
Ligand-Target Pair