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SMILES: Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1

InChI Key: InChIKey=VVFWKPYHLDVFKE-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 4 hits for monomerid = 50495485   
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 delta isoform


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
PDB
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NCI pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 353n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 171n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair