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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50243770'   
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


(Homo sapiens (Human))
BDBM50243770
PNG
(2-((S)-3-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(...)
Show SMILES C[C@H]1CN(CCN1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 |r|
Show InChI InChI=1S/C37H38N10/c1-25-23-47(20-17-38-25)37-40-22-30-21-31(27-7-3-2-4-8-27)33(41-34(30)43-37)28-12-10-26(11-13-28)24-46-18-14-29(15-19-46)35-42-36(45-44-35)32-9-5-6-16-39-32/h2-13,16,21-22,25,29,38H,14-15,17-20,23-24H2,1H3,(H,42,44,45)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay


Bioorg Med Chem Lett 18: 4186-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50243770
PNG
(2-((S)-3-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(...)
Show SMILES C[C@H]1CN(CCN1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 |r|
Show InChI InChI=1S/C37H38N10/c1-25-23-47(20-17-38-25)37-40-22-30-21-31(27-7-3-2-4-8-27)33(41-34(30)43-37)28-12-10-26(11-13-28)24-46-18-14-29(15-19-46)35-42-36(45-44-35)32-9-5-6-16-39-32/h2-13,16,21-22,25,29,38H,14-15,17-20,23-24H2,1H3,(H,42,44,45)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation in human by C33a cells by IPKA assay


Bioorg Med Chem Lett 18: 4186-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC
More data for this
Ligand-Target Pair