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SMILES: C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C

InChI Key: InChIKey=DMIIPYYADLDKAX-HNNXBMFYSA-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 = 489232   
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))
BDBM489232
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
Show InChI InChI=1S/C26H28N6O4S2/c1-14-23(37-25(28-14)30-20-5-4-6-21(29-20)31-10-9-27-26(31)34)17-11-18-13-32(15(2)16-7-8-16)24(33)22(18)19(12-17)38(3,35)36/h4-6,11-12,15-16H,7-10,13H2,1-3H3,(H,27,34)(H,28,29,30)/t15-/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))
BDBM489232
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
Show InChI InChI=1S/C26H28N6O4S2/c1-14-23(37-25(28-14)30-20-5-4-6-21(29-20)31-10-9-27-26(31)34)17-11-18-13-32(15(2)16-7-8-16)24(33)22(18)19(12-17)38(3,35)36/h4-6,11-12,15-16H,7-10,13H2,1-3H3,(H,27,34)(H,28,29,30)/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 219n/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))
BDBM489232
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
Show InChI InChI=1S/C26H28N6O4S2/c1-14-23(37-25(28-14)30-20-5-4-6-21(29-20)31-10-9-27-26(31)34)17-11-18-13-32(15(2)16-7-8-16)24(33)22(18)19(12-17)38(3,35)36/h4-6,11-12,15-16H,7-10,13H2,1-3H3,(H,27,34)(H,28,29,30)/t15-/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 23n/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))
BDBM489232
PNG
(2-[(1S)-1-Cyclopropylethyl]-5-(4-methyl-2-{[6-(2-o...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
Show InChI InChI=1S/C26H28N6O4S2/c1-14-23(37-25(28-14)30-20-5-4-6-21(29-20)31-10-9-27-26(31)34)17-11-18-13-32(15(2)16-7-8-16)24(33)22(18)19(12-17)38(3,35)36/h4-6,11-12,15-16H,7-10,13H2,1-3H3,(H,27,34)(H,28,29,30)/t15-/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 0.800n/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