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BDBM50433042 CHEMBL2375962

SMILES: Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cn[nH]c1

InChI Key: InChIKey=NNXNZTDFLLHLOS-BETUJISGSA-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 = 50433042   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50433042
PNG
(CHEMBL2375962)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(43.18,-30.37,;43.19,-31.91,;41.86,-32.68,;41.85,-34.23,;40.52,-34.99,;43.19,-35,;44.52,-34.23,;45.86,-35.01,;45.85,-36.54,;47.18,-37.31,;47.17,-38.86,;45.83,-39.62,;44.5,-38.84,;44.51,-37.31,;45.82,-41.16,;44.48,-41.92,;43.15,-41.14,;41.81,-41.9,;43.16,-39.6,;47.21,-34.23,;48.54,-35.01,;47.21,-32.68,;45.86,-31.89,;44.52,-32.67,;48.55,-31.92,;49.94,-32.56,;50.98,-31.43,;50.22,-30.09,;48.71,-30.4,)|
Show InChI InChI=1S/C19H23N7O3/c1-10-14-6-15(11-7-22-23-8-11)18(28)26(17(14)25-19(21)24-10)12-2-4-13(5-3-12)29-9-16(20)27/h6-8,12-13H,2-5,9H2,1H3,(H2,20,27)(H,22,23)(H2,21,24,25)/t12-,13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Bioorg Med Chem Lett 23: 2787-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.020
BindingDB Entry DOI: 10.7270/Q2NZ890X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50433042
PNG
(CHEMBL2375962)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(43.18,-30.37,;43.19,-31.91,;41.86,-32.68,;41.85,-34.23,;40.52,-34.99,;43.19,-35,;44.52,-34.23,;45.86,-35.01,;45.85,-36.54,;47.18,-37.31,;47.17,-38.86,;45.83,-39.62,;44.5,-38.84,;44.51,-37.31,;45.82,-41.16,;44.48,-41.92,;43.15,-41.14,;41.81,-41.9,;43.16,-39.6,;47.21,-34.23,;48.54,-35.01,;47.21,-32.68,;45.86,-31.89,;44.52,-32.67,;48.55,-31.92,;49.94,-32.56,;50.98,-31.43,;50.22,-30.09,;48.71,-30.4,)|
Show InChI InChI=1S/C19H23N7O3/c1-10-14-6-15(11-7-22-23-8-11)18(28)26(17(14)25-19(21)24-10)12-2-4-13(5-3-12)29-9-16(20)27/h6-8,12-13H,2-5,9H2,1H3,(H2,20,27)(H,22,23)(H2,21,24,25)/t12-,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 23: 2787-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.020
BindingDB Entry DOI: 10.7270/Q2NZ890X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50433042
PNG
(CHEMBL2375962)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(43.18,-30.37,;43.19,-31.91,;41.86,-32.68,;41.85,-34.23,;40.52,-34.99,;43.19,-35,;44.52,-34.23,;45.86,-35.01,;45.85,-36.54,;47.18,-37.31,;47.17,-38.86,;45.83,-39.62,;44.5,-38.84,;44.51,-37.31,;45.82,-41.16,;44.48,-41.92,;43.15,-41.14,;41.81,-41.9,;43.16,-39.6,;47.21,-34.23,;48.54,-35.01,;47.21,-32.68,;45.86,-31.89,;44.52,-32.67,;48.55,-31.92,;49.94,-32.56,;50.98,-31.43,;50.22,-30.09,;48.71,-30.4,)|
Show InChI InChI=1S/C19H23N7O3/c1-10-14-6-15(11-7-22-23-8-11)18(28)26(17(14)25-19(21)24-10)12-2-4-13(5-3-12)29-9-16(20)27/h6-8,12-13H,2-5,9H2,1H3,(H2,20,27)(H,22,23)(H2,21,24,25)/t12-,13+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells


Bioorg Med Chem Lett 23: 2787-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.020
BindingDB Entry DOI: 10.7270/Q2NZ890X
More data for this
Ligand-Target Pair