Reaction Details Report a problem with these data
Target
Phosphatidylinositol 3-kinase regulatory subunit alpha
Ligand
BDBM338887
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
5500±n/a nM
Citation
 Castro, AC; Evans, CA; Janardanannair, S; Lescarbeau, A; Liu, T; Tremblay, MR Heterocyclic compounds and uses thereof US Patent  US9751888 Publication Date 9/5/2017 
Target
Name:
Phosphatidylinositol 3-kinase regulatory subunit alpha
Synonyms:
GRB1 | P85A_HUMAN | PI3-kinase class I | PI3-kinase p85 subunit alpha | PI3-kinase p85-alpha subunit | PI3-kinase p85-subunit alpha | PI3-kinase subunit p85-alpha | PI3K | PIK3CG/PIK3R1 | PIK3R1 | Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha (PI3K alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PI3K p85-alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3R1) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3RI) | Phosphatidylinositol 3-kinase regulatory subunit alpha isoform 1 (PI3 Kinase alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha p85alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha) | Phosphoinositide 3-Kinase (PI3K) Chain B | PtdIns-3-kinase p85-alpha | p84 alpha | p85 alpha
Type:
Protein
Mol. Mass.:
83592.82
Organism:
Human
Description:
P27986
Residue:
724
Sequence:
MSAEGYQYRALYDYKKEREEDIDLHLGDILTVNKGSLVALGFSDGQEARPEEIGWLNGYNETTGERGDFPGTYVEYIGRKKISPPTPKPRPPRPLPVAPGSSKTEADVEQQALTLPDLAEQFAPPDIAPPLLIKLVEAIEKKGLECSTLYRTQSSSNLAELRQLLDCDTPSVDLEMIDVHVLADAFKRYLLDLPNPVIPAAVYSEMISLAPEVQSSEEYIQLLKKLIRSPSIPHQYWLTLQYLLKHFFKLSQTSSKNLLNARVLSEIFSPMLFRFSAASSDNTENLIKVIEILISTEWNERQPAPALPPKPPKPTTVANNGMNNNMSLQDAEWYWGDISREEVNEKLRDTADGTFLVRDASTKMHGDYTLTLRKGGNNKLIKIFHRDGKYGFSDPLTFSSVVELINHYRNESLAQYNPKLDVKLLYPVSKYQQDQVVKEDNIEAVGKKLHEYNTQFQEKSREYDRLYEEYTRTSQEIQMKRTAIEAFNETIKIFEEQCQTQERYSKEYIEKFKREGNEKEIQRIMHNYDKLKSRISEIIDSRRRLEEDLKKQAAEYREIDKRMNSIKPDLIQLRKTRDQYLMWLTQKGVRQKKLNEWLGNENTEDQYSLVEDDEDLPHHDEKTWNVGSSNRNKAENLLRGKRDGTFLVRESSKQGCYACSVVVDGEVKHCVINKTATGYGFAEPYNLYSSLKELVLHYQHTSLVQHNDSLNVTLAYPVYAQQRR
  
Inhibitor
Name:
BDBM338887
Synonyms:
US9751888, Compound 78
Type:
Small organic molecule
Emp. Form.:
C25H22ClN7O4S
Mol. Mass.:
552.005
SMILES:
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1NS(C)(=O)=O |r,wD:1.0,(-1.84,.63,;-.33,.95,;.14,2.41,;-.89,3.56,;-2.39,3.24,;-.41,5.02,;-1.32,6.27,;-2.86,6.27,;-.41,7.52,;1.05,7.04,;2.39,7.81,;3.72,7.04,;3.72,5.5,;2.39,4.73,;1.05,5.5,;.7,-.19,;2.2,.13,;3.23,-1.02,;4.74,-.7,;5.77,-1.84,;5.29,-3.31,;3.79,-3.63,;3.31,-5.09,;2.76,-2.48,;1.25,-2.8,;.78,-4.27,;.22,-1.66,;-1.29,-1.98,;-2.32,-.83,;-3.82,-1.16,;-4.3,-2.62,;-3.27,-3.76,;-1.76,-3.44,;-.73,-4.59,;-1.21,-6.05,;-1.68,-7.52,;-2.67,-5.58,;.26,-6.53,)|
Structure:
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