BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.9
BDBM386039

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386039
PNG
(4-(4-(1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Clc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q26M394B
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))
BDBM386039
PNG
(4-(4-(1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Clc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q26M394B
More data for this
Ligand-Target Pair