Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50119614' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119614
(CHEMBL3618238)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)N2CCNCC2)cc1F Show InChI InChI=1S/C184H310N50O55/c1-26-30-48-108(206-152(261)109(49-34-39-72-185)207-156(265)114(54-44-77-199-181(193)194)212-170(279)127(82-96(11)12)229-179(288)183(24,88-97(13)14)233-175(284)129(84-107-90-197-92-201-107)225-171(280)128(83-106-46-32-31-33-47-106)224-174(283)133(91-235)228-169(278)126(81-95(9)10)223-173(282)131(86-143(253)254)204-105(23)237)165(274)230-146(100(18)28-3)178(287)220-123(63-71-142(251)252)166(275)231-147(101(19)29-4)177(286)219-122(62-70-141(249)250)163(272)211-110(50-35-40-73-186)153(262)214-117(57-65-135(190)239)159(268)218-120(60-68-139(245)246)161(270)210-111(51-36-41-74-187)154(263)216-119(59-67-138(243)244)160(269)209-112(52-37-42-75-188)155(264)217-121(61-69-140(247)248)162(271)215-118(58-66-137(241)242)151(260)203-102(20)149(258)202-103(21)150(259)205-116(56-64-134(189)238)164(273)226-130(85-136(191)240)172(281)213-115(55-45-78-200-182(195)196)157(266)208-113(53-38-43-76-198-104(22)236)158(267)221-124(79-93(5)6)167(276)222-125(80-94(7)8)168(277)227-132(87-144(255)256)176(285)234-184(25,89-98(15)16)180(289)232-145(148(192)257)99(17)27-2/h31-33,46-47,90,92-103,108-133,145-147,235H,26-30,34-45,48-89,91,185-188H2,1-25H3,(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,257)(H,197,201)(H,198,236)(H,202,258)(H,203,260)(H,204,237)(H,205,259)(H,206,261)(H,207,265)(H,208,266)(H,209,269)(H,210,270)(H,211,272)(H,212,279)(H,213,281)(H,214,262)(H,215,271)(H,216,263)(H,217,264)(H,218,268)(H,219,286)(H,220,287)(H,221,267)(H,222,276)(H,223,282)(H,224,283)(H,225,280)(H,226,273)(H,227,277)(H,228,278)(H,229,288)(H,230,274)(H,231,275)(H,232,289)(H,233,284)(H,234,285)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,199)(H4,195,196,200)/t99?,100?,101?,102-,103-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128?,129-,130-,131-,132-,133-,145?,146-,147-,183+,184+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119614
(CHEMBL3618238)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)N2CCNCC2)cc1F Show InChI InChI=1S/C184H310N50O55/c1-26-30-48-108(206-152(261)109(49-34-39-72-185)207-156(265)114(54-44-77-199-181(193)194)212-170(279)127(82-96(11)12)229-179(288)183(24,88-97(13)14)233-175(284)129(84-107-90-197-92-201-107)225-171(280)128(83-106-46-32-31-33-47-106)224-174(283)133(91-235)228-169(278)126(81-95(9)10)223-173(282)131(86-143(253)254)204-105(23)237)165(274)230-146(100(18)28-3)178(287)220-123(63-71-142(251)252)166(275)231-147(101(19)29-4)177(286)219-122(62-70-141(249)250)163(272)211-110(50-35-40-73-186)153(262)214-117(57-65-135(190)239)159(268)218-120(60-68-139(245)246)161(270)210-111(51-36-41-74-187)154(263)216-119(59-67-138(243)244)160(269)209-112(52-37-42-75-188)155(264)217-121(61-69-140(247)248)162(271)215-118(58-66-137(241)242)151(260)203-102(20)149(258)202-103(21)150(259)205-116(56-64-134(189)238)164(273)226-130(85-136(191)240)172(281)213-115(55-45-78-200-182(195)196)157(266)208-113(53-38-43-76-198-104(22)236)158(267)221-124(79-93(5)6)167(276)222-125(80-94(7)8)168(277)227-132(87-144(255)256)176(285)234-184(25,89-98(15)16)180(289)232-145(148(192)257)99(17)27-2/h31-33,46-47,90,92-103,108-133,145-147,235H,26-30,34-45,48-89,91,185-188H2,1-25H3,(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,257)(H,197,201)(H,198,236)(H,202,258)(H,203,260)(H,204,237)(H,205,259)(H,206,261)(H,207,265)(H,208,266)(H,209,269)(H,210,270)(H,211,272)(H,212,279)(H,213,281)(H,214,262)(H,215,271)(H,216,263)(H,217,264)(H,218,268)(H,219,286)(H,220,287)(H,221,267)(H,222,276)(H,223,282)(H,224,283)(H,225,280)(H,226,273)(H,227,277)(H,228,278)(H,229,288)(H,230,274)(H,231,275)(H,232,289)(H,233,284)(H,234,285)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,199)(H4,195,196,200)/t99?,100?,101?,102-,103-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128?,129-,130-,131-,132-,133-,145?,146-,147-,183+,184+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by a... |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
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