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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 (51-359)' and Ligand = 'BDBM281792'   
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))
BDBM281792
PNG
(2-({[5-(4-aminopyrido[3,4-d] pyrimidin-6-yl)thioph...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(16-4-7-21(28)22(29)12-16)35-27(36)19-3-2-10-31-26(19)32-13-18-6-9-24(37-18)17-5-8-23-20(11-17)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/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
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281792
PNG
(2-({[5-(4-aminopyrido[3,4-d] pyrimidin-6-yl)thioph...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(16-4-7-21(28)22(29)12-16)35-27(36)19-3-2-10-31-26(19)32-13-18-6-9-24(37-18)17-5-8-23-20(11-17)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/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