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SMILES: CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C

InChI Key: InChIKey=ZAWKCTQNKKDNMQ-YJBOKZPZSA-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 = 489287   
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))
BDBM489287
PNG
(6-[2-({6-[(3S)-3-Hydroxy-2-oxopyrrolidin-1-yl]pyri...)
Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
Show InChI InChI=1S/C27H29F3N6O5S2/c1-13(2)34-43(40,41)19-11-16(10-17-12-36(25(39)22(17)19)15(4)27(28,29)30)23-14(3)31-26(42-23)33-20-6-5-7-21(32-20)35-9-8-18(37)24(35)38/h5-7,10-11,13,15,18,34,37H,8-9,12H2,1-4H3,(H,31,32,33)/t15-,18-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM489287
PNG
(6-[2-({6-[(3S)-3-Hydroxy-2-oxopyrrolidin-1-yl]pyri...)
Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
Show InChI InChI=1S/C27H29F3N6O5S2/c1-13(2)34-43(40,41)19-11-16(10-17-12-36(25(39)22(17)19)15(4)27(28,29)30)23-14(3)31-26(42-23)33-20-6-5-7-21(32-20)35-9-8-18(37)24(35)38/h5-7,10-11,13,15,18,34,37H,8-9,12H2,1-4H3,(H,31,32,33)/t15-,18-/m0/s1
PDB
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PC cid
PC sid
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US Patent
n/an/a 322n/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))
BDBM489287
PNG
(6-[2-({6-[(3S)-3-Hydroxy-2-oxopyrrolidin-1-yl]pyri...)
Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
Show InChI InChI=1S/C27H29F3N6O5S2/c1-13(2)34-43(40,41)19-11-16(10-17-12-36(25(39)22(17)19)15(4)27(28,29)30)23-14(3)31-26(42-23)33-20-6-5-7-21(32-20)35-9-8-18(37)24(35)38/h5-7,10-11,13,15,18,34,37H,8-9,12H2,1-4H3,(H,31,32,33)/t15-,18-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 57n/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))
BDBM489287
PNG
(6-[2-({6-[(3S)-3-Hydroxy-2-oxopyrrolidin-1-yl]pyri...)
Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
Show InChI InChI=1S/C27H29F3N6O5S2/c1-13(2)34-43(40,41)19-11-16(10-17-12-36(25(39)22(17)19)15(4)27(28,29)30)23-14(3)31-26(42-23)33-20-6-5-7-21(32-20)35-9-8-18(37)24(35)38/h5-7,10-11,13,15,18,34,37H,8-9,12H2,1-4H3,(H,31,32,33)/t15-,18-/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 1.20n/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