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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 = 'BDBM121390'   
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))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 570n/an/an/an/a7.4n/a



AbbVie Inc.

US Patent


Assay Description
To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well p...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair