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BDBM50387530 CHEMBL2059910

SMILES: CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C

InChI Key: InChIKey=MMOOFFFQYJLTLQ-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 = 50387530   
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))
BDBM50387530
PNG
(CHEMBL2059910)
Show SMILES CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C17H21N7O3S/c1-17(2,3)23-28(26,27)13-7-12(8-19-9-13)11-5-6-14-20-15(21-16(25)18-4)22-24(14)10-11/h5-10,23H,1-4H3,(H2,18,21,22,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50387530
PNG
(CHEMBL2059910)
Show SMILES CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C17H21N7O3S/c1-17(2,3)23-28(26,27)13-7-12(8-19-9-13)11-5-6-14-20-15(21-16(25)18-4)22-24(14)10-11/h5-10,23H,1-4H3,(H2,18,21,22,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50387530
PNG
(CHEMBL2059910)
Show SMILES CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C17H21N7O3S/c1-17(2,3)23-28(26,27)13-7-12(8-19-9-13)11-5-6-14-20-15(21-16(25)18-4)22-24(14)10-11/h5-10,23H,1-4H3,(H2,18,21,22,25)
PDB
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UniChem

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Article
PubMed
n/an/a>5.01E+3n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50387530
PNG
(CHEMBL2059910)
Show SMILES CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C17H21N7O3S/c1-17(2,3)23-28(26,27)13-7-12(8-19-9-13)11-5-6-14-20-15(21-16(25)18-4)22-24(14)10-11/h5-10,23H,1-4H3,(H2,18,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair