Found 3 hits for monomerid = 50119617 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50119617
(CHEMBL3618241)Show SMILES COCCN1CCN(CC1)c1ccc2nc(Nc3cnc(OC)c(F)c3)c(-c3nc(C)nc(N)n3)n2c1 Show InChI InChI=1S/C170H284N44O49/c1-24-28-45-100(188-141(237)101(46-32-37-68-171)189-145(241)106(51-42-73-183-168(179)180)194-158(254)118(77-90(11)12)209-166(262)169(22,83-91(13)14)213-162(258)120(79-99-85-181-86-184-99)205-159(255)119(186-97(21)215)78-98-43-30-29-31-44-98)153(249)210-136(94(18)26-3)165(261)201-114(59-67-133(230)231)154(250)211-137(95(19)27-4)164(260)200-113(58-66-132(228)229)151(247)192-102(47-33-38-69-172)142(238)195-107(52-60-124(175)216)147(243)199-111(56-64-130(224)225)149(245)191-103(48-34-39-70-173)143(239)197-110(55-63-129(222)223)148(244)190-104(49-35-40-71-174)144(240)198-112(57-65-131(226)227)150(246)196-109(54-62-128(220)221)140(236)185-96(20)139(235)187-108-53-61-127(219)182-72-41-36-50-105(193-160(256)121(80-125(176)217)207-161(257)122(81-126(177)218)206-152(108)248)146(242)202-115(74-87(5)6)155(251)203-116(75-88(7)8)156(252)204-117(76-89(9)10)157(253)208-123(82-134(232)233)163(259)214-170(23,84-92(15)16)167(263)212-135(138(178)234)93(17)25-2/h29-31,43-44,85-96,100-123,135-137H,24-28,32-42,45-84,171-174H2,1-23H3,(H2,175,216)(H2,176,217)(H2,177,218)(H2,178,234)(H,181,184)(H,182,219)(H,185,236)(H,186,215)(H,187,235)(H,188,237)(H,189,241)(H,190,244)(H,191,245)(H,192,247)(H,193,256)(H,194,254)(H,195,238)(H,196,246)(H,197,239)(H,198,240)(H,199,243)(H,200,260)(H,201,261)(H,202,242)(H,203,251)(H,204,252)(H,205,255)(H,206,248)(H,207,257)(H,208,253)(H,209,262)(H,210,249)(H,211,250)(H,212,263)(H,213,258)(H,214,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H4,179,180,183)/t93?,94?,95?,96-,100-,101-,102-,103-,104-,105-,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122+,123-,135+,136-,137-,169+,170+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | 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)
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)) | BDBM50119617
(CHEMBL3618241)Show SMILES COCCN1CCN(CC1)c1ccc2nc(Nc3cnc(OC)c(F)c3)c(-c3nc(C)nc(N)n3)n2c1 Show InChI InChI=1S/C170H284N44O49/c1-24-28-45-100(188-141(237)101(46-32-37-68-171)189-145(241)106(51-42-73-183-168(179)180)194-158(254)118(77-90(11)12)209-166(262)169(22,83-91(13)14)213-162(258)120(79-99-85-181-86-184-99)205-159(255)119(186-97(21)215)78-98-43-30-29-31-44-98)153(249)210-136(94(18)26-3)165(261)201-114(59-67-133(230)231)154(250)211-137(95(19)27-4)164(260)200-113(58-66-132(228)229)151(247)192-102(47-33-38-69-172)142(238)195-107(52-60-124(175)216)147(243)199-111(56-64-130(224)225)149(245)191-103(48-34-39-70-173)143(239)197-110(55-63-129(222)223)148(244)190-104(49-35-40-71-174)144(240)198-112(57-65-131(226)227)150(246)196-109(54-62-128(220)221)140(236)185-96(20)139(235)187-108-53-61-127(219)182-72-41-36-50-105(193-160(256)121(80-125(176)217)207-161(257)122(81-126(177)218)206-152(108)248)146(242)202-115(74-87(5)6)155(251)203-116(75-88(7)8)156(252)204-117(76-89(9)10)157(253)208-123(82-134(232)233)163(259)214-170(23,84-92(15)16)167(263)212-135(138(178)234)93(17)25-2/h29-31,43-44,85-96,100-123,135-137H,24-28,32-42,45-84,171-174H2,1-23H3,(H2,175,216)(H2,176,217)(H2,177,218)(H2,178,234)(H,181,184)(H,182,219)(H,185,236)(H,186,215)(H,187,235)(H,188,237)(H,189,241)(H,190,244)(H,191,245)(H,192,247)(H,193,256)(H,194,254)(H,195,238)(H,196,246)(H,197,239)(H,198,240)(H,199,243)(H,200,260)(H,201,261)(H,202,242)(H,203,251)(H,204,252)(H,205,255)(H,206,248)(H,207,257)(H,208,253)(H,209,262)(H,210,249)(H,211,250)(H,212,263)(H,213,258)(H,214,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H4,179,180,183)/t93?,94?,95?,96-,100-,101-,102-,103-,104-,105-,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122+,123-,135+,136-,137-,169+,170+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | 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)
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50119617
(CHEMBL3618241)Show SMILES COCCN1CCN(CC1)c1ccc2nc(Nc3cnc(OC)c(F)c3)c(-c3nc(C)nc(N)n3)n2c1 Show InChI InChI=1S/C170H284N44O49/c1-24-28-45-100(188-141(237)101(46-32-37-68-171)189-145(241)106(51-42-73-183-168(179)180)194-158(254)118(77-90(11)12)209-166(262)169(22,83-91(13)14)213-162(258)120(79-99-85-181-86-184-99)205-159(255)119(186-97(21)215)78-98-43-30-29-31-44-98)153(249)210-136(94(18)26-3)165(261)201-114(59-67-133(230)231)154(250)211-137(95(19)27-4)164(260)200-113(58-66-132(228)229)151(247)192-102(47-33-38-69-172)142(238)195-107(52-60-124(175)216)147(243)199-111(56-64-130(224)225)149(245)191-103(48-34-39-70-173)143(239)197-110(55-63-129(222)223)148(244)190-104(49-35-40-71-174)144(240)198-112(57-65-131(226)227)150(246)196-109(54-62-128(220)221)140(236)185-96(20)139(235)187-108-53-61-127(219)182-72-41-36-50-105(193-160(256)121(80-125(176)217)207-161(257)122(81-126(177)218)206-152(108)248)146(242)202-115(74-87(5)6)155(251)203-116(75-88(7)8)156(252)204-117(76-89(9)10)157(253)208-123(82-134(232)233)163(259)214-170(23,84-92(15)16)167(263)212-135(138(178)234)93(17)25-2/h29-31,43-44,85-96,100-123,135-137H,24-28,32-42,45-84,171-174H2,1-23H3,(H2,175,216)(H2,176,217)(H2,177,218)(H2,178,234)(H,181,184)(H,182,219)(H,185,236)(H,186,215)(H,187,235)(H,188,237)(H,189,241)(H,190,244)(H,191,245)(H,192,247)(H,193,256)(H,194,254)(H,195,238)(H,196,246)(H,197,239)(H,198,240)(H,199,243)(H,200,260)(H,201,261)(H,202,242)(H,203,251)(H,204,252)(H,205,255)(H,206,248)(H,207,257)(H,208,253)(H,209,262)(H,210,249)(H,211,250)(H,212,263)(H,213,258)(H,214,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H4,179,180,183)/t93?,94?,95?,96-,100-,101-,102-,103-,104-,105-,106-,107-,108?,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122+,123-,135+,136-,137-,169+,170+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
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