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BDBM50391727 CHEMBL2147089

SMILES: COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Br)nc2)cc1)n1cncn1

InChI Key: InChIKey=KLVDMBTYFVGHGX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50391727   
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))		BDBM50391727
PNG
(CHEMBL2147089)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Br)nc2)cc1)n1cncn1
Show InChI InChI=1S/C19H20BrN5O2/c1-19(2,18(26)27-3)17(25-12-21-11-23-25)13-4-6-14(7-5-13)24-15-8-9-16(20)22-10-15/h4-12,17,24H,1-3H3
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n/an/a 500n/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