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BDBM50528432 CHEMBL4518523

SMILES: Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCC(O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BMOIVWHPWUYGIK-WLENULPWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528432   
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))		BDBM50528432
PNG
(CHEMBL4518523)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCC(O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:30.34,(8.31,-7.58,;7.99,-9.09,;6.58,-9.71,;6.74,-11.24,;8.24,-11.57,;8.87,-12.97,;9.02,-10.23,;10.55,-10.07,;11.58,-11.22,;13,-10.6,;12.83,-9.07,;11.33,-8.74,;10.7,-7.33,;14.33,-11.37,;14.32,-12.91,;15.66,-10.61,;16.99,-11.38,;16.99,-12.91,;18.32,-13.69,;19.66,-12.92,;20.99,-13.7,;22.32,-12.93,;23.66,-13.71,;23.64,-15.25,;24.96,-16.02,;26.31,-15.26,;27.63,-16.04,;26.31,-13.72,;24.98,-12.94,;19.66,-11.38,;18.33,-10.61,;18.33,-9.08,;17,-8.31,;17,-6.77,;18.33,-6,;18.32,-4.46,;19.66,-6.76,;20.99,-5.98,;19.67,-8.31,)|
Show InChI InChI=1S/C27H31Cl4N5O3/c1-35-25(22(30)13-33-35)19-12-24(39-26(19)31)27(38)34-23-14-32-16(4-7-36-8-5-17(37)6-9-36)11-18(23)15-2-3-20(28)21(29)10-15/h2-3,10,12-13,16-18,23,32,37H,4-9,11,14H2,1H3,(H,34,38)/t16-,18+,23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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