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SMILES: COC(=O)C(C)(C)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1

InChI Key: InChIKey=UZFHIXZFZUDBGR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50342132   
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))		BDBM50342132
PNG
(3-[4-(Benzothiazol-2-ylamino)-phenyl]-3-imidazol-1...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1
Show InChI InChI=1S/C22H22N4O2S/c1-22(2,20(27)28-3)19(26-13-12-23-14-26)15-8-10-16(11-9-15)24-21-25-17-6-4-5-7-18(17)29-21/h4-14,19H,1-3H3,(H,24,25)
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n/an/a 100n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting

J Med Chem 54: 2778-91 (2011)


Article DOI: 10.1021/jm101583w
BindingDB Entry DOI: 10.7270/Q2TT4R8J
More data for this
Ligand-Target Pair