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BDBM50525687 CHEMBL4476303

SMILES: COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1

InChI Key: InChIKey=FVDASCLSJSGZPE-IBGZPJMESA-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 = 50525687   
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))
BDBM50525687
PNG
(CHEMBL4476303)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30(2)14-22(32)31-8-4-5-19(13-31)29-23-20-10-16(6-7-21(20)27-15-28-23)18-9-17(11-25)24(33-3)26-12-18/h6-7,9-10,12,15,19H,4-5,8,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.051
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50525687
PNG
(CHEMBL4476303)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30(2)14-22(32)31-8-4-5-19(13-31)29-23-20-10-16(6-7-21(20)27-15-28-23)18-9-17(11-25)24(33-3)26-12-18/h6-7,9-10,12,15,19H,4-5,8,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1
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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.051
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50525687
PNG
(CHEMBL4476303)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30(2)14-22(32)31-8-4-5-19(13-31)29-23-20-10-16(6-7-21(20)27-15-28-23)18-9-17(11-25)24(33-3)26-12-18/h6-7,9-10,12,15,19H,4-5,8,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.051
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50525687
PNG
(CHEMBL4476303)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30(2)14-22(32)31-8-4-5-19(13-31)29-23-20-10-16(6-7-21(20)27-15-28-23)18-9-17(11-25)24(33-3)26-12-18/h6-7,9-10,12,15,19H,4-5,8,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1
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 22n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.051
More data for this
Ligand-Target Pair