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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 = 'BDBM50528482'   
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))		BDBM50528482
PNG
(CHEMBL4593086)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NCC(O)CO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:30.33,(62.66,-40.72,;62.33,-42.23,;60.93,-42.85,;61.08,-44.38,;62.59,-44.71,;63.21,-46.12,;63.36,-43.38,;64.9,-43.22,;65.92,-44.36,;67.34,-43.74,;67.18,-42.21,;65.67,-41.88,;65.05,-40.48,;68.67,-44.51,;68.67,-46.05,;70.01,-43.75,;71.34,-44.52,;71.33,-46.05,;72.66,-46.83,;74,-46.06,;75.33,-46.84,;76.67,-46.07,;76.67,-44.53,;78,-46.85,;79.34,-46.08,;80.67,-46.86,;80.66,-48.4,;82,-46.09,;83.33,-46.87,;74.01,-44.52,;72.68,-43.75,;72.67,-42.22,;71.34,-41.45,;71.34,-39.91,;72.67,-39.14,;72.67,-37.6,;74.01,-39.9,;75.34,-39.13,;74.01,-41.45,)|
Show InChI InChI=1S/C25H27Cl4N5O5/c1-34-23(19(28)9-32-34)16-7-21(39-24(16)29)25(38)33-20-10-30-13(6-22(37)31-8-14(36)11-35)5-15(20)12-2-3-17(26)18(27)4-12/h2-4,7,9,13-15,20,30,35-36H,5-6,8,10-11H2,1H3,(H,31,37)(H,33,38)/t13-,14?,15-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/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