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SMILES: COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O

InChI Key: InChIKey=XYDOOSSZZGUDEI-GASCZTMLSA-N

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 = 50433033   
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


(Mus musculus (Mouse))
BDBM50433033
PNG
(CHEMBL2376095)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O |r,wD:19.20,22.27,(23.9,-1.62,;22.57,-.85,;21.24,-1.62,;19.89,-.85,;18.57,-1.62,;18.56,-3.15,;19.9,-3.93,;21.23,-3.16,;17.23,-3.91,;15.88,-3.12,;14.54,-3.9,;13.21,-3.14,;13.2,-1.6,;11.88,-3.91,;11.87,-5.45,;10.54,-6.22,;13.21,-6.22,;14.54,-5.46,;15.88,-6.23,;15.87,-7.77,;17.2,-8.54,;17.19,-10.08,;15.85,-10.85,;14.52,-10.07,;14.53,-8.53,;15.84,-12.39,;14.5,-13.15,;13.17,-12.37,;17.22,-5.46,;18.56,-6.24,)|
Show InChI InChI=1S/C21H25N5O4/c1-12-16-9-17(13-3-8-18(29-2)23-10-13)20(28)26(19(16)25-21(22)24-12)14-4-6-15(7-5-14)30-11-27/h3,8-10,14-15,27H,4-7,11H2,1-2H3,(H2,22,24,25)/t14-,15+
PDB

UniProtKB/SwissProt

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 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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50433033
PNG
(CHEMBL2376095)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O |r,wD:19.20,22.27,(23.9,-1.62,;22.57,-.85,;21.24,-1.62,;19.89,-.85,;18.57,-1.62,;18.56,-3.15,;19.9,-3.93,;21.23,-3.16,;17.23,-3.91,;15.88,-3.12,;14.54,-3.9,;13.21,-3.14,;13.2,-1.6,;11.88,-3.91,;11.87,-5.45,;10.54,-6.22,;13.21,-6.22,;14.54,-5.46,;15.88,-6.23,;15.87,-7.77,;17.2,-8.54,;17.19,-10.08,;15.85,-10.85,;14.52,-10.07,;14.53,-8.53,;15.84,-12.39,;14.5,-13.15,;13.17,-12.37,;17.22,-5.46,;18.56,-6.24,)|
Show InChI InChI=1S/C21H25N5O4/c1-12-16-9-17(13-3-8-18(29-2)23-10-13)20(28)26(19(16)25-21(22)24-12)14-4-6-15(7-5-14)30-11-27/h3,8-10,14-15,27H,4-7,11H2,1-2H3,(H2,22,24,25)/t14-,15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
13n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50433033
PNG
(CHEMBL2376095)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O |r,wD:19.20,22.27,(23.9,-1.62,;22.57,-.85,;21.24,-1.62,;19.89,-.85,;18.57,-1.62,;18.56,-3.15,;19.9,-3.93,;21.23,-3.16,;17.23,-3.91,;15.88,-3.12,;14.54,-3.9,;13.21,-3.14,;13.2,-1.6,;11.88,-3.91,;11.87,-5.45,;10.54,-6.22,;13.21,-6.22,;14.54,-5.46,;15.88,-6.23,;15.87,-7.77,;17.2,-8.54,;17.19,-10.08,;15.85,-10.85,;14.52,-10.07,;14.53,-8.53,;15.84,-12.39,;14.5,-13.15,;13.17,-12.37,;17.22,-5.46,;18.56,-6.24,)|
Show InChI InChI=1S/C21H25N5O4/c1-12-16-9-17(13-3-8-18(29-2)23-10-13)20(28)26(19(16)25-21(22)24-12)14-4-6-15(7-5-14)30-11-27/h3,8-10,14-15,27H,4-7,11H2,1-2H3,(H2,22,24,25)/t14-,15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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