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BDBM50387541 CHEMBL2057368

SMILES: CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1

InChI Key: InChIKey=CTMJHHLZQLYKLF-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 = 50387541   
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))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.51n/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))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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UniChem

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Article
PubMed
n/an/a 63.1n/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))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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PC sid
UniChem

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Article
PubMed
n/an/a 794n/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


(Homo sapiens (Human))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6.31n/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