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SMILES: Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2nc(C)oc2C)no1

InChI Key: InChIKey=CTCCPCJJBBXFHA-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401449   
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))		BDBM50401449
PNG
(CHEMBL2207509)
Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2nc(C)oc2C)no1
Show InChI InChI=1S/C20H22BrN7O2/c1-11-8-14(26-30-11)10-27-4-6-28(7-5-27)18-15(21)9-22-19-17(18)24-20(25-19)16-12(2)29-13(3)23-16/h8-9H,4-7,10H2,1-3H3,(H,22,24,25)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase

J Med Chem 55: 8721-34 (2012)


Article DOI: 10.1021/jm300952s
BindingDB Entry DOI: 10.7270/Q22J6D2W
More data for this
Ligand-Target Pair