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Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM105275
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
3±0.0 nM
Citation
 Engelhardt, H; Kofink, C; McConnell, D Chemical compounds US Patent  US8575203 Publication Date 11/5/2013 
Target
Name:
3-phosphoinositide-dependent protein kinase 1
Synonyms:
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) | 3-phosphoinositide dependent protein kinase-1 | 3-phosphoinositide-dependent protein kinase 1 | 3-phosphoinositide-dependent protein kinase 1 (PDK) | 3-phosphoinositide-dependent protein kinase 1 (PDK-1) | 3-phosphoinositide-dependent protein kinase 1 (PDK1)(Δ1-50) | Isoform 2 of 3-phosphoinositide-dependent protein kinase 1 | PDK1 | PDPK1 | PDPK1_HUMAN | Phosphoinositide-dependent protein kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1) | hPDK1
Type:
Enzyme
Mol. Mass.:
63157.65
Organism:
Homo sapiens (Human)
Description:
O15530
Residue:
556
Sequence:
MARTTSQLYDAVPIQSSVVLCSCPSPSMVRTQTESSTPPGIPGGSRQGPAMDGTAAEPRPGAGSLQHAQPPPQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLTAYLPAMSEDDEDCYGNYDNLLSQFGCMQVSSSSSSHSLSASDTGLPQRSGSNIEQYIHDLDSNSFELDLQFSEDEKRLLLEKQAGGNPWHQFVENNLILKMGPVDKRKGLFARRRQLLLTEGPHLYYVDPVNKVLKGEIPWSQELRPEAKNFKTFFVHTPNRTYYLMDPSGNAHKWCRKIQEVWRQRYQSHPDAAVQ
  
Inhibitor
Name:
BDBM105275
Synonyms:
US8575203, I-42
Type:
Small organic molecule
Emp. Form.:
C37H40F2N8O2
Mol. Mass.:
666.7627
SMILES:
Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(8.67,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;.67,7.31,;.67,8.85,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,3.47,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-8.67,-1.15,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.23,;-4.67,-3.47,;-3.33,-4.23,;-3.33,-5.78,;-4.67,-6.54,;-6,-5.78,;-2,-6.54,;-2,-8.08,;-.67,-8.85,;.67,-8.08,;2,-8.85,;3.33,-8.08,;4.87,-8.08,;4.1,-6.75,;.67,-6.54,;-.67,-5.78,;-6,-1.15,;-6,.38,;-4.67,1.15,;2,5,;.67,4.23,;4.67,.38,;6,-.38,;6,-1.93,)|
Structure:
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