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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116652'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM116652
PNG
(US8637532, 352)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Nc2cc(ccn2)C#N)c1
Show InChI InChI=1S/C23H19N7O/c1-14(29-23-19-7-3-6-18(22(25)31)21(19)27-13-28-23)16-4-2-5-17(11-16)30-20-10-15(12-24)8-9-26-20/h2-11,13-14H,1H3,(H2,25,31)(H,26,30)(H,27,28,29)/t14-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair