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BDBM50528476 CHEMBL4585120

SMILES: Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=WFDOLBPLEFJDIN-XJKSGUPXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528476   
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))		BDBM50528476
PNG
(CHEMBL4585120)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1cccc(c1)C(F)(F)F |r,wU:16.17,wD:21.24,(26.53,-8.06,;26.2,-9.57,;24.8,-10.19,;24.95,-11.72,;26.46,-12.05,;27.08,-13.45,;27.23,-10.71,;28.77,-10.56,;29.79,-11.71,;31.2,-11.09,;31.05,-9.55,;29.54,-9.23,;28.92,-7.82,;32.53,-11.86,;32.52,-13.4,;33.86,-11.09,;35.19,-11.87,;35.19,-13.4,;36.52,-14.18,;37.86,-13.41,;37.87,-11.86,;36.53,-11.1,;36.54,-9.56,;35.2,-8.79,;35.21,-7.25,;36.54,-6.48,;37.87,-7.24,;37.88,-8.79,;39.2,-6.47,;40.54,-7.23,;39.2,-4.93,;40.53,-5.69,)|
Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-30-18(15(22)9-28-30)14-8-17(32-19(14)23)20(31)29-16-10-27-6-5-13(16)11-3-2-4-12(7-11)21(24,25)26/h2-4,7-9,13,16,27H,5-6,10H2,1H3,(H,29,31)/t13-,16+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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