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SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1

InChI Key: InChIKey=YZHHYILCGVQSKU-INIZCTEOSA-N

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 = 50502315   
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 alpha isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair