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BDBM50387536 CHEMBL2057362

SMILES: Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C

InChI Key: InChIKey=GABNZMRCOCJMDX-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 = 50387536   
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))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
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PC sid
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Article
PubMed
n/an/a 25.1n/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))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
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Article
PubMed
n/an/a 79.4n/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))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
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Article
PubMed
n/an/a 2.00E+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


(Homo sapiens (Human))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
PDB
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NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.6n/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