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BDBM50528413 CHEMBL4568343

SMILES: COCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=XWVKPMOEQZEULP-BIENJYKASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528413   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50528413
PNG
(CHEMBL4568343)
Show SMILES COCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:7.10,4.3,wD:6.28,(49.19,-26.41,;47.85,-27.18,;46.52,-26.4,;45.19,-27.17,;43.85,-26.39,;43.86,-24.85,;42.53,-24.08,;41.19,-24.85,;41.19,-26.38,;42.52,-27.16,;39.86,-24.08,;38.52,-24.84,;38.52,-26.38,;37.19,-24.07,;35.78,-24.69,;34.75,-23.55,;35.52,-22.21,;34.9,-20.81,;37.03,-22.54,;33.21,-23.71,;32.44,-25.04,;33.06,-26.45,;30.94,-24.71,;30.78,-23.18,;32.19,-22.56,;32.51,-21.05,;42.53,-22.55,;41.19,-21.78,;41.2,-20.24,;42.52,-19.47,;42.52,-17.93,;43.86,-20.23,;45.19,-19.46,;43.87,-21.78,)|
Show InChI InChI=1S/C23H24Cl4N4O3/c1-31-21(18(26)10-29-31)15-9-20(34-22(15)27)23(32)30-19-11-28-13(5-6-33-2)8-14(19)12-3-4-16(24)17(25)7-12/h3-4,7,9-10,13-14,19,28H,5-6,8,11H2,1-2H3,(H,30,32)/t13-,14+,19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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
More data for this
Ligand-Target Pair