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BDBM50336405 4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide::CHEMBL1668269

SMILES: Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1

InChI Key: InChIKey=LMTXZFZMGKTSOF-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336405   
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))
BDBM50336405
PNG
(4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...)
Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336405
PNG
(4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...)
Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336405
PNG
(4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...)
Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-phosphorylation at S473 residue in human BT20 cells


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair