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BDBM50439513 CHEMBL2418353

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O

InChI Key: InChIKey=RNSKAEKUJPCTAD-HNNXBMFYSA-N

Data: 4 KI

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 4 hits for monomerid = 50439513   
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))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
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Article
PubMed
9.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360-2549) expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 after 30 mins by L...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
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160n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of TAMRA-PIP3 from PI3Kdelta GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
PDB
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NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of TAMRA-PIP3 from PI3Kalpha GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair