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BDBM50343238 CHEMBL1773564::N-(6-(2-(4-Methoxybenzyloxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide

SMILES: COc1ccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1

InChI Key: InChIKey=YEGUMXWYMKIFLV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50343238   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343238
PNG
(CHEMBL1773564 | N-(6-(2-(4-Methoxybenzyloxy)pyrimi...)
Show SMILES COc1ccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1
Show InChI InChI=1S/C21H18N4O3S/c1-13(26)23-21-25-18-8-5-15(11-19(18)29-21)17-9-10-22-20(24-17)28-12-14-3-6-16(27-2)7-4-14/h3-11H,12H2,1-2H3,(H,23,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
58n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343238
PNG
(CHEMBL1773564 | N-(6-(2-(4-Methoxybenzyloxy)pyrimi...)
Show SMILES COc1ccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1
Show InChI InChI=1S/C21H18N4O3S/c1-13(26)23-21-25-18-8-5-15(11-19(18)29-21)17-9-10-22-20(24-17)28-12-14-3-6-16(27-2)7-4-14/h3-11H,12H2,1-2H3,(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>6.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of 4EBP1 phosphorylation by TR-FRET assay


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair