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BDBM50469458 CHEMBL4279703

SMILES: CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1

InChI Key: InChIKey=VZZGNDREIXJEAB-UHFFFAOYSA-N

Data: 7 Kd

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 7 hits for monomerid = 50469458   
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 beta isoform


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
PDB
MMDB

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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
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n/an/an/a 8.30E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 (282 to 879 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
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n/an/an/a 0.850n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
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n/an/an/a 2.20E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
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n/an/an/a>3.00E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>3.00E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human PI4Kbeta (1 to 828 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50469458
PNG
(CHEMBL4279703)
Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
PDB
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NCI pathway
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KEGG

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PC sid
UniChem
Article
PubMed
n/an/an/a 2.70E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair