BindingDB logo
myBDB logout

BDBM50204095 CHEMBL3899361

SMILES: N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1

InChI Key: InChIKey=RMMORUSSVSGJPJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50204095   
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 gamma isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 342n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair