Reaction Details Report a problem with these data
Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM139840
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
IC50
1±n/a nM
Comments
extracted
Citation
 McConnell, D; Engelhardt, H; Kofink, C 1H-imidazo[4,5-c]quinolines US Patent  US8895581 Publication Date 11/25/2014 
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:
BDBM139840
Synonyms:
US8895581, III-26
Type:
Small organic molecule
Emp. Form.:
C35H35FN6O3
Mol. Mass.:
606.6892
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:33.36,3.2,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-1.48,-1.06,;-2.97,-1.45,;-3.37,-2.94,;-2.28,-4.03,;-.79,-3.63,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)|
Structure:
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