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SMILES: C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F

InChI Key: InChIKey=NHOGIGRHHZKFTF-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 = 489264   
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))
BDBM489264
PNG
(6-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O5S2/c1-14-24(42-26(31-14)33-20-5-3-6-21(32-20)35-8-4-7-22(35)37)16-9-17-11-36(15(2)27(28,29)30)25(38)23(17)19(10-16)43(39,40)34-18-12-41-13-18/h3,5-6,9-10,15,18,34H,4,7-8,11-13H2,1-2H3,(H,31,32,33)/t15-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM489264
PNG
(6-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O5S2/c1-14-24(42-26(31-14)33-20-5-3-6-21(32-20)35-8-4-7-22(35)37)16-9-17-11-36(15(2)27(28,29)30)25(38)23(17)19(10-16)43(39,40)34-18-12-41-13-18/h3,5-6,9-10,15,18,34H,4,7-8,11-13H2,1-2H3,(H,31,32,33)/t15-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 395n/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))
BDBM489264
PNG
(6-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O5S2/c1-14-24(42-26(31-14)33-20-5-3-6-21(32-20)35-8-4-7-22(35)37)16-9-17-11-36(15(2)27(28,29)30)25(38)23(17)19(10-16)43(39,40)34-18-12-41-13-18/h3,5-6,9-10,15,18,34H,4,7-8,11-13H2,1-2H3,(H,31,32,33)/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 67n/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))
BDBM489264
PNG
(6-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...)
Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N6O5S2/c1-14-24(42-26(31-14)33-20-5-3-6-21(32-20)35-8-4-7-22(35)37)16-9-17-11-36(15(2)27(28,29)30)25(38)23(17)19(10-16)43(39,40)34-18-12-41-13-18/h3,5-6,9-10,15,18,34H,4,7-8,11-13H2,1-2H3,(H,31,32,33)/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 1.10n/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