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SMILES: CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1

InChI Key: InChIKey=GMYLVKUGJMYTFB-UHFFFAOYSA-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 8 hits for monomerid = 50093082   
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))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 21n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cFMS


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 15n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DNA PK


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin)


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 630n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE3 (unknown origin)


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 23n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
PDB
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NCI pathway
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n/an/a 850n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair