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BDBM50528430 CHEMBL4438877

SMILES: Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(N)=O)C[C@H]1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WBSIGNSYHUWOKA-NVGCLXPQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528430   
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))		BDBM50528430
PNG
(CHEMBL4438877)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(N)=O)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(8.94,-24.9,;8.62,-26.4,;7.21,-27.02,;7.37,-28.56,;8.87,-28.88,;9.5,-30.29,;9.65,-27.55,;11.18,-27.39,;12.21,-28.53,;13.63,-27.91,;13.46,-26.38,;11.96,-26.06,;11.33,-24.65,;14.96,-28.69,;14.95,-30.23,;16.29,-27.92,;17.62,-28.69,;17.62,-30.23,;18.95,-31,;20.29,-30.24,;21.62,-31.01,;22.96,-30.25,;24.29,-31.02,;22.96,-28.71,;20.3,-28.69,;18.96,-27.93,;18.96,-26.39,;17.63,-25.62,;17.63,-24.08,;18.96,-23.31,;18.95,-21.77,;20.29,-24.07,;21.62,-23.3,;20.3,-25.62,)|
Show InChI InChI=1S/C22H21Cl4N5O3/c1-31-20(16(25)8-29-31)13-7-18(34-21(13)26)22(33)30-17-9-28-11(6-19(27)32)5-12(17)10-2-3-14(23)15(24)4-10/h2-4,7-8,11-12,17,28H,5-6,9H2,1H3,(H2,27,32)(H,30,33)/t11-,12-,17+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/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