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BDBM50528418 CHEMBL4536780

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=LLSNFBIVFCQYNW-LREBCSMRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528418   
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))		BDBM50528418
PNG
(CHEMBL4536780)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(cc1)C(F)(F)F |r,wD:1.0,2.2,(24.81,-27.16,;24.81,-25.63,;23.48,-24.86,;23.48,-23.34,;22.16,-25.63,;20.84,-24.86,;22.16,-27.16,;26.13,-24.86,;27.45,-25.63,;26.13,-23.34,;7.44,-20.36,;7.12,-21.87,;5.71,-22.49,;5.87,-24.02,;7.37,-24.34,;8,-25.75,;8.15,-23.01,;9.68,-22.86,;10.71,-24.01,;12.11,-23.38,;11.96,-21.85,;10.45,-21.53,;9.83,-20.12,;13.44,-24.16,;13.44,-25.7,;14.78,-23.39,;16.11,-24.16,;16.11,-25.7,;17.44,-26.48,;18.77,-25.71,;18.78,-24.16,;17.45,-23.4,;17.45,-21.86,;16.12,-21.09,;16.12,-19.55,;17.45,-18.78,;18.79,-19.54,;18.79,-21.09,;17.45,-17.24,;18.78,-16.46,;16.11,-16.47,;17.43,-15.69,)|
Show InChI InChI=1S/C21H19Cl2F3N4O2.C4H6O6/c1-30-18(15(22)9-28-30)14-8-17(32-19(14)23)20(31)29-16-10-27-7-6-13(16)11-2-4-12(5-3-11)21(24,25)26;5-1(3(7)8)2(6)4(9)10/h2-5,8-9,13,16,27H,6-7,10H2,1H3,(H,29,31);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/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