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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' and Ligand = 'BDBM50528410'   
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))
BDBM50528410
PNG
(CHEMBL4589576)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NC2CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.32,(60.53,-24.37,;60.21,-25.88,;58.8,-26.5,;58.96,-28.03,;60.46,-28.36,;61.09,-29.77,;61.24,-27.03,;62.77,-26.87,;63.8,-28.01,;65.22,-27.39,;65.05,-25.86,;63.55,-25.54,;62.92,-24.13,;66.55,-28.17,;66.54,-29.7,;67.88,-27.4,;69.22,-28.17,;69.21,-29.71,;70.54,-30.48,;71.88,-29.72,;73.21,-30.49,;74.55,-29.73,;74.55,-28.19,;75.88,-30.5,;77.21,-29.74,;78.75,-29.74,;77.98,-28.4,;71.89,-28.17,;70.55,-27.4,;70.55,-25.87,;69.22,-25.1,;69.22,-23.56,;70.55,-22.79,;70.54,-21.25,;71.88,-23.55,;73.21,-22.78,;71.89,-25.1,)|
Show InChI InChI=1S/C25H25Cl4N5O3/c1-34-23(19(28)10-31-34)16-9-21(37-24(16)29)25(36)33-20-11-30-14(8-22(35)32-13-3-4-13)7-15(20)12-2-5-17(26)18(27)6-12/h2,5-6,9-10,13-15,20,30H,3-4,7-8,11H2,1H3,(H,32,35)(H,33,36)/t14-,15-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay


J Med Chem 62: 7264-7288 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W
More data for this
Ligand-Target Pair