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SMILES: C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F

InChI Key: InChIKey=TWLBPEXRIJIDLQ-ZDUSSCGKSA-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 = 489239   
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 delta isoform


(Homo sapiens (Human))
BDBM489239
PNG
(5-(4-Methyl-2-{[6-(2-oxo-1,3-oxazolidin-3-yl)pyrid...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F3N5O5S2/c1-12-20(38-22(28-12)30-17-5-4-6-18(29-17)31-7-8-37-23(31)34)14-9-15-11-32(13(2)24(25,26)27)21(33)19(15)16(10-14)39(3,35)36/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,28,29,30)/t13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...


US Patent US10961236 (2021)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM489239
PNG
(5-(4-Methyl-2-{[6-(2-oxo-1,3-oxazolidin-3-yl)pyrid...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F3N5O5S2/c1-12-20(38-22(28-12)30-17-5-4-6-18(29-17)31-7-8-37-23(31)34)14-9-15-11-32(13(2)24(25,26)27)21(33)19(15)16(10-14)39(3,35)36/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,28,29,30)/t13-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.10E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...


US Patent US10961236 (2021)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM489239
PNG
(5-(4-Methyl-2-{[6-(2-oxo-1,3-oxazolidin-3-yl)pyrid...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F3N5O5S2/c1-12-20(38-22(28-12)30-17-5-4-6-18(29-17)31-7-8-37-23(31)34)14-9-15-11-32(13(2)24(25,26)27)21(33)19(15)16(10-14)39(3,35)36/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,28,29,30)/t13-/m0/s1
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...


US Patent US10961236 (2021)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform [144-1102]


(Homo sapiens (Human))
BDBM489239
PNG
(5-(4-Methyl-2-{[6-(2-oxo-1,3-oxazolidin-3-yl)pyrid...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C24H22F3N5O5S2/c1-12-20(38-22(28-12)30-17-5-4-6-18(29-17)31-7-8-37-23(31)34)14-9-15-11-32(13(2)24(25,26)27)21(33)19(15)16(10-14)39(3,35)36/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,28,29,30)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...


US Patent US10961236 (2021)

More data for this
Ligand-Target Pair