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BDBM50160074 CHEMBL3785311

SMILES: COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C

InChI Key: InChIKey=KAXNDTMKFONXJM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50160074   
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))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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CHEMBL
MCE
PC cid
PC sid
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Similars

PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 152n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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CHEMBL
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PC cid
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UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine6-tagged recombinant human full length PI3Kalpha expressed in baculovirus infected Sf21 insect cells preincubated f...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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CHEMBL
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UniChem

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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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CHEMBL
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair