Reaction Details Report a problem with these data
Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
Ligand
BDBM602698
Substrate
n/a
Meas. Tech.
PI3K-Alpha kinase (PIK3CA) activity, wild-type and H1047R mutant and determining IC50 values for inhibitors
IC50
<500±n/a nM
Citation
Anderson, ED; Aronow, SD; Boyles, NA; Dahlgren, MK; Feng, S; Gerasyuto, AI; Hickey, ER; Irvin, TC; Kesicki, EA; Klippel-Giese, A; Knight, JL; Kolakowski, GR; Kumar, M; Long, KF; Mayne, CG; McElligott, DL; McLean, JA; Puca, L; Ravi, KK; Severance, DL; Welch, MB; Widjaja, T Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease US Patent US11649227 Publication Date 5/16/2023
More Info.:
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
Synonyms:
PIK3CA | PK3CA_HUMAN | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform mutant | Phosphoinositide 3-Kinase (PI3K), alpha Mutant (H1047R) Chain A
Type:
Catalytic subunit
Mol. Mass.:
124314.42
Organism:
Human
Description:
P42336 H1047R
Residue:
1068
Sequence:
MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDARHGGWTTKMDWIFHTIKQHALN
Inhibitor
Name:
BDBM602698
Synonyms:
6-Chloro-3-[1-[3,6-dimethyl-4- oxo-2-(1-piperidyl)chromen-8- yl]ethylamino]pyridine-2- carboxylic acid | US11649227, Example 305 | US20230286960, Example 305
Type:
Small organic molecule
Emp. Form.:
C24H26ClN3O4
Mol. Mass.:
455.934
SMILES:
CC(Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(N1CCCCC1)c(C)c2=O