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BDBM50528481 CHEMBL4443488

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

InChI Key: InChIKey=IELAMBSPCQLCGY-LREBCSMRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528481   
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))		BDBM50528481
PNG
(CHEMBL4443488)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(Cl)cc1 |r,wD:1.0,2.2,(86.62,-13.81,;86.62,-12.27,;85.28,-11.5,;85.28,-9.96,;83.95,-12.27,;82.62,-11.5,;83.95,-13.81,;87.95,-11.5,;89.29,-12.27,;87.95,-9.96,;70.57,-5.57,;70.24,-7.08,;68.83,-7.7,;68.99,-9.23,;70.5,-9.56,;71.12,-10.97,;71.27,-8.23,;72.8,-8.07,;73.83,-9.22,;75.23,-8.6,;75.08,-7.06,;73.58,-6.74,;72.95,-5.33,;76.56,-9.37,;76.56,-10.91,;77.9,-8.6,;79.23,-9.38,;79.23,-10.91,;80.56,-11.69,;81.9,-10.92,;81.9,-9.38,;80.57,-8.61,;80.58,-7.07,;79.24,-6.3,;79.24,-4.76,;80.57,-3.99,;80.57,-2.45,;81.91,-4.75,;81.91,-6.3,)|
Show InChI InChI=1S/C20H19Cl3N4O2.C4H6O6/c1-27-18(15(22)9-25-27)14-8-17(29-19(14)23)20(28)26-16-10-24-7-6-13(16)11-2-4-12(21)5-3-11;5-1(3(7)8)2(6)4(9)10/h2-5,8-9,13,16,24H,6-7,10H2,1H3,(H,26,28);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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