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SMILES: COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC

InChI Key: InChIKey=DJEHYLVMWCPRFJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50270610   
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
Aurora kinase A


(Homo sapiens (Human))		BDBM50270610
PNG
(4-chloro-6,7-dimethoxy-9H-pyrimido[4,5-b]indole | ...)
Show SMILES COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C12H10ClN3O2/c1-17-8-3-6-7(4-9(8)18-2)16-12-10(6)11(13)14-5-15-12/h3-5H,1-2H3,(H,14,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora kinase A

J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H
More data for this
Ligand-Target Pair