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SMILES: CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C

InChI Key: InChIKey=RNKHOYDAZIEJFF-SFHVURJKSA-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 = 489286   
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))
BDBM489286
PNG
(2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[4-(2-hydroxy...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r|
Show InChI InChI=1S/C29H35N7O5S2/c1-17-27(20-13-21-15-36(18(2)19-7-8-19)28(39)26(21)22(14-20)43(40,41)30-3)42-29(31-17)33-23-5-4-6-24(32-23)35-10-9-34(11-12-37)16-25(35)38/h4-6,13-14,18-19,30,37H,7-12,15-16H2,1-3H3,(H,31,32,33)/t18-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM489286
PNG
(2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[4-(2-hydroxy...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r|
Show InChI InChI=1S/C29H35N7O5S2/c1-17-27(20-13-21-15-36(18(2)19-7-8-19)28(39)26(21)22(14-20)43(40,41)30-3)42-29(31-17)33-23-5-4-6-24(32-23)35-10-9-34(11-12-37)16-25(35)38/h4-6,13-14,18-19,30,37H,7-12,15-16H2,1-3H3,(H,31,32,33)/t18-/m0/s1
PDB
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PC cid
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US Patent
n/an/a 481n/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))
BDBM489286
PNG
(2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[4-(2-hydroxy...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r|
Show InChI InChI=1S/C29H35N7O5S2/c1-17-27(20-13-21-15-36(18(2)19-7-8-19)28(39)26(21)22(14-20)43(40,41)30-3)42-29(31-17)33-23-5-4-6-24(32-23)35-10-9-34(11-12-37)16-25(35)38/h4-6,13-14,18-19,30,37H,7-12,15-16H2,1-3H3,(H,31,32,33)/t18-/m0/s1
PDB
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PC cid
PC sid
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US Patent
n/an/a 27n/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))
BDBM489286
PNG
(2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[4-(2-hydroxy...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r|
Show InChI InChI=1S/C29H35N7O5S2/c1-17-27(20-13-21-15-36(18(2)19-7-8-19)28(39)26(21)22(14-20)43(40,41)30-3)42-29(31-17)33-23-5-4-6-24(32-23)35-10-9-34(11-12-37)16-25(35)38/h4-6,13-14,18-19,30,37H,7-12,15-16H2,1-3H3,(H,31,32,33)/t18-/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