Reaction Details Report a problem with these data
Target
3-phosphoinositide-dependent protein kinase 1
Ligand
BDBM139819
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:
BDBM139819
Synonyms:
US8895581, III-5
Type:
Small organic molecule
Emp. Form.:
C36H36F2N6O2
Mol. Mass.:
622.7068
SMILES:
C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,35.39,wD:1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-2.95,-3.69,;-1.46,-3.29,;-1.06,-1.8,;-2.15,-.71,;-3.64,-1.11,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
Structure:
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