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BDBM50528427 CHEMBL4441416

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

InChI Key: InChIKey=IFEZKPVXFMCRIB-BIENJYKASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528427   
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))		BDBM50528427
PNG
(CHEMBL4441416)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCNS(C)(=O)=O)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:28.31,(6.19,-22.87,;5.87,-24.37,;4.46,-24.99,;4.62,-26.53,;6.12,-26.85,;6.74,-28.26,;6.89,-25.52,;8.43,-25.36,;9.46,-26.5,;10.87,-25.88,;10.71,-24.35,;9.2,-24.03,;8.58,-22.62,;12.2,-26.66,;12.2,-28.2,;13.54,-25.89,;14.87,-26.66,;14.87,-28.2,;16.2,-28.97,;17.53,-28.21,;18.87,-28.98,;20.2,-28.22,;21.53,-28.99,;22.87,-28.23,;24.2,-29,;22.09,-26.89,;23.64,-26.88,;17.54,-26.66,;16.21,-25.9,;16.21,-24.36,;14.87,-23.59,;14.88,-22.05,;16.2,-21.28,;16.2,-19.74,;17.54,-22.04,;18.87,-21.27,;17.55,-23.59,)|
Show InChI InChI=1S/C23H25Cl2F2N5O4S/c1-32-21(16(24)10-29-32)15-9-20(36-22(15)25)23(33)31-19-11-28-13(5-6-30-37(2,34)35)8-14(19)12-3-4-17(26)18(27)7-12/h3-4,7,9-10,13-14,19,28,30H,5-6,8,11H2,1-2H3,(H,31,33)/t13-,14+,19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/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