BindingDB logo
myBDB logout

BDBM50433047 CHEMBL2375966

SMILES: Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnn(C)c1

InChI Key: InChIKey=HFFRBNFVPWVIBS-HDJSIYSDSA-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 = 50433047   
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 (PI3K alpha)


(Mus musculus (Mouse))
BDBM50433047
PNG
(CHEMBL2375966)
Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.37,-15.83,;54.38,-17.37,;53.05,-18.15,;53.05,-19.69,;51.71,-20.46,;54.38,-20.46,;55.71,-19.69,;57.05,-20.47,;57.04,-22.01,;55.7,-22.77,;55.69,-24.3,;57.02,-25.08,;58.36,-24.32,;58.37,-22.78,;57.01,-26.62,;55.67,-27.39,;54.34,-26.61,;58.4,-19.7,;59.73,-20.47,;58.4,-18.14,;57.05,-17.36,;55.71,-18.14,;59.74,-17.38,;61.13,-18.03,;62.17,-16.89,;61.41,-15.55,;62.05,-14.15,;59.9,-15.86,)|
Show InChI InChI=1S/C19H24N6O3/c1-11-15-7-16(12-8-21-24(2)9-12)18(27)25(17(15)23-19(20)22-11)13-3-5-14(6-4-13)28-10-26/h7-9,13-14,26H,3-6,10H2,1-2H3,(H2,20,22,23)/t13-,14-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/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))
BDBM50433047
PNG
(CHEMBL2375966)
Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.37,-15.83,;54.38,-17.37,;53.05,-18.15,;53.05,-19.69,;51.71,-20.46,;54.38,-20.46,;55.71,-19.69,;57.05,-20.47,;57.04,-22.01,;55.7,-22.77,;55.69,-24.3,;57.02,-25.08,;58.36,-24.32,;58.37,-22.78,;57.01,-26.62,;55.67,-27.39,;54.34,-26.61,;58.4,-19.7,;59.73,-20.47,;58.4,-18.14,;57.05,-17.36,;55.71,-18.14,;59.74,-17.38,;61.13,-18.03,;62.17,-16.89,;61.41,-15.55,;62.05,-14.15,;59.9,-15.86,)|
Show InChI InChI=1S/C19H24N6O3/c1-11-15-7-16(12-8-21-24(2)9-12)18(27)25(17(15)23-19(20)22-11)13-3-5-14(6-4-13)28-10-26/h7-9,13-14,26H,3-6,10H2,1-2H3,(H2,20,22,23)/t13-,14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
20n/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))
BDBM50433047
PNG
(CHEMBL2375966)
Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.37,-15.83,;54.38,-17.37,;53.05,-18.15,;53.05,-19.69,;51.71,-20.46,;54.38,-20.46,;55.71,-19.69,;57.05,-20.47,;57.04,-22.01,;55.7,-22.77,;55.69,-24.3,;57.02,-25.08,;58.36,-24.32,;58.37,-22.78,;57.01,-26.62,;55.67,-27.39,;54.34,-26.61,;58.4,-19.7,;59.73,-20.47,;58.4,-18.14,;57.05,-17.36,;55.71,-18.14,;59.74,-17.38,;61.13,-18.03,;62.17,-16.89,;61.41,-15.55,;62.05,-14.15,;59.9,-15.86,)|
Show InChI InChI=1S/C19H24N6O3/c1-11-15-7-16(12-8-21-24(2)9-12)18(27)25(17(15)23-19(20)22-11)13-3-5-14(6-4-13)28-10-26/h7-9,13-14,26H,3-6,10H2,1-2H3,(H2,20,22,23)/t13-,14-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 288n/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