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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 (51-359)' and Ligand = 'BDBM281805'   
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
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281805
PNG
((S)-5-trifluoromethyl-N-(1-(3,4- difluorophenyl)et...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(s1)-c1ccc2ncc3ncn(C)c3c2c1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H23F5N6OS/c1-16(17-3-6-23(32)24(33)10-17)41-30(43)22-11-19(31(34,35)36)12-38-29(22)39-13-20-5-8-27(44-20)18-4-7-25-21(9-18)28-26(14-37-25)40-15-42(28)2/h3-12,14-16H,13H2,1-2H3,(H,38,39)(H,41,43)/t16-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair