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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]' and Ligand = 'BDBM16937'   
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
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16937
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CC(C)=C1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r,wU:20.22,(-12.05,2.37,;-10.54,2.69,;-9.45,1.6,;-10.07,4.16,;-10.97,5.4,;-12.51,5.4,;-10.07,6.65,;-8.6,6.17,;-7.27,6.94,;-5.93,6.17,;-5.93,4.63,;-7.27,3.86,;-8.6,4.63,;-4.6,3.86,;-4.6,2.32,;-3.27,1.55,;-1.93,2.32,;-1.93,3.86,;-.6,4.63,;.73,3.86,;2.07,4.63,;2.07,6.17,;3.4,3.86,;4.74,4.63,;4.28,6.1,;5.53,6.99,;6.77,6.07,;8.28,6.37,;9.3,5.22,;8.8,3.76,;7.29,3.46,;6.28,4.61,;-3.27,4.63,)|
Show InChI InChI=1S/C27H26N4O2/c1-16(2)26-23-11-17(7-8-25(23)31-27(26)32)18-10-21(14-29-12-18)33-15-20(28)9-19-13-30-24-6-4-3-5-22(19)24/h3-8,10-14,20,30H,9,15,28H2,1-2H3,(H,31,32)/t20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52.7n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair