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SMILES: CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C

InChI Key: InChIKey=ZWZBXYCUIUOCOO-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 = 489268   
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))
BDBM489268
PNG
(2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
Show InChI InChI=1S/C27H31N7O4S2/c1-15-25(39-27(30-15)32-21-5-4-6-22(31-21)33-10-9-29-13-23(33)35)18-11-19-14-34(16(2)17-7-8-17)26(36)24(19)20(12-18)40(37,38)28-3/h4-6,11-12,16-17,28-29H,7-10,13-14H2,1-3H3,(H,30,31,32)/t16-/m0/s1
PDB
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PC cid
PC sid
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM489268
PNG
(2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
Show InChI InChI=1S/C27H31N7O4S2/c1-15-25(39-27(30-15)32-21-5-4-6-22(31-21)33-10-9-29-13-23(33)35)18-11-19-14-34(16(2)17-7-8-17)26(36)24(19)20(12-18)40(37,38)28-3/h4-6,11-12,16-17,28-29H,7-10,13-14H2,1-3H3,(H,30,31,32)/t16-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 298n/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))
BDBM489268
PNG
(2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
Show InChI InChI=1S/C27H31N7O4S2/c1-15-25(39-27(30-15)32-21-5-4-6-22(31-21)33-10-9-29-13-23(33)35)18-11-19-14-34(16(2)17-7-8-17)26(36)24(19)20(12-18)40(37,38)28-3/h4-6,11-12,16-17,28-29H,7-10,13-14H2,1-3H3,(H,30,31,32)/t16-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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))
BDBM489268
PNG
(2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
Show InChI InChI=1S/C27H31N7O4S2/c1-15-25(39-27(30-15)32-21-5-4-6-22(31-21)33-10-9-29-13-23(33)35)18-11-19-14-34(16(2)17-7-8-17)26(36)24(19)20(12-18)40(37,38)28-3/h4-6,11-12,16-17,28-29H,7-10,13-14H2,1-3H3,(H,30,31,32)/t16-/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 1.30n/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