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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' and Ligand = 'BDBM50321383'   
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


(Homo sapiens (human))
BDBM50321383
PNG
(CHEMBL1171330 | QEMFRDFDYIADW)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C80H106N18O24S/c1-5-41(2)66(78(120)87-42(3)67(109)91-57(37-63(103)104)76(118)97-60(79(121)122)36-46-40-86-50-20-13-12-19-48(46)50)98-77(119)56(35-45-22-24-47(99)25-23-45)94-75(117)59(39-65(107)108)96-73(115)55(34-44-17-10-7-11-18-44)93-74(116)58(38-64(105)106)95-69(111)51(21-14-31-85-80(83)84)89-72(114)54(33-43-15-8-6-9-16-43)92-71(113)53(30-32-123-4)90-70(112)52(27-29-62(101)102)88-68(110)49(81)26-28-61(82)100/h6-13,15-20,22-25,40-42,49,51-60,66,86,99H,5,14,21,26-39,81H2,1-4H3,(H2,82,100)(H,87,120)(H,88,110)(H,89,114)(H,90,112)(H,91,109)(H,92,113)(H,93,116)(H,94,117)(H,95,111)(H,96,115)(H,97,118)(H,98,119)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,121,122)(H4,83,84,85)/t41-,42-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Displacement of PIFtide from His-tagged PDK1 by HTRF assay


Bioorg Med Chem Lett 20: 3897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.019
BindingDB Entry DOI: 10.7270/Q2Z60Q1H
More data for this
Ligand-Target Pair