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BDBM50433029 CHEMBL2376092

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

InChI Key: InChIKey=FWRJSVJUWJBVFB-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 = 50433029   
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))
BDBM50433029
PNG
(CHEMBL2376092)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(55.51,-1.14,;55.51,-2.68,;54.18,-3.45,;54.18,-5,;52.85,-5.77,;55.52,-5.77,;56.85,-5,;58.18,-5.78,;58.18,-7.31,;59.51,-8.08,;59.5,-9.63,;58.16,-10.39,;56.83,-9.61,;56.84,-8.08,;58.15,-11.93,;56.81,-12.69,;55.48,-11.91,;59.53,-5.01,;60.86,-5.78,;59.53,-3.45,;58.19,-2.67,;56.85,-3.45,;60.87,-2.69,;62.26,-3.33,;63.3,-2.2,;62.55,-.86,;61.04,-1.17,)|
Show InChI InChI=1S/C18H22N6O3/c1-10-14-6-15(11-7-20-21-8-11)17(26)24(16(14)23-18(19)22-10)12-2-4-13(5-3-12)27-9-25/h6-8,12-13,25H,2-5,9H2,1H3,(H,20,21)(H2,19,22,23)/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
7.5n/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))
BDBM50433029
PNG
(CHEMBL2376092)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(55.51,-1.14,;55.51,-2.68,;54.18,-3.45,;54.18,-5,;52.85,-5.77,;55.52,-5.77,;56.85,-5,;58.18,-5.78,;58.18,-7.31,;59.51,-8.08,;59.5,-9.63,;58.16,-10.39,;56.83,-9.61,;56.84,-8.08,;58.15,-11.93,;56.81,-12.69,;55.48,-11.91,;59.53,-5.01,;60.86,-5.78,;59.53,-3.45,;58.19,-2.67,;56.85,-3.45,;60.87,-2.69,;62.26,-3.33,;63.3,-2.2,;62.55,-.86,;61.04,-1.17,)|
Show InChI InChI=1S/C18H22N6O3/c1-10-14-6-15(11-7-20-21-8-11)17(26)24(16(14)23-18(19)22-10)12-2-4-13(5-3-12)27-9-25/h6-8,12-13,25H,2-5,9H2,1H3,(H,20,21)(H2,19,22,23)/t12-,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50433029
PNG
(CHEMBL2376092)
Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(55.51,-1.14,;55.51,-2.68,;54.18,-3.45,;54.18,-5,;52.85,-5.77,;55.52,-5.77,;56.85,-5,;58.18,-5.78,;58.18,-7.31,;59.51,-8.08,;59.5,-9.63,;58.16,-10.39,;56.83,-9.61,;56.84,-8.08,;58.15,-11.93,;56.81,-12.69,;55.48,-11.91,;59.53,-5.01,;60.86,-5.78,;59.53,-3.45,;58.19,-2.67,;56.85,-3.45,;60.87,-2.69,;62.26,-3.33,;63.3,-2.2,;62.55,-.86,;61.04,-1.17,)|
Show InChI InChI=1S/C18H22N6O3/c1-10-14-6-15(11-7-20-21-8-11)17(26)24(16(14)23-18(19)22-10)12-2-4-13(5-3-12)27-9-25/h6-8,12-13,25H,2-5,9H2,1H3,(H,20,21)(H2,19,22,23)/t12-,13+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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