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SMILES: Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1

InChI Key: InChIKey=FQONYOQKVJPKAD-UHFFFAOYSA-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 = 50267167   
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 gamma isoform


(Homo sapiens (Human))
BDBM50267167
PNG
(CHEMBL4081413)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2
PDB
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PC sid
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Article
PubMed
n/an/a 158n/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...


J Med Chem 60: 1534-1554 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01801
BindingDB Entry DOI: 10.7270/Q2251MPR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50267167
PNG
(CHEMBL4081413)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2
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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...


J Med Chem 60: 1534-1554 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01801
BindingDB Entry DOI: 10.7270/Q2251MPR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50267167
PNG
(CHEMBL4081413)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2
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PC sid
UniChem

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...


J Med Chem 60: 1534-1554 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01801
BindingDB Entry DOI: 10.7270/Q2251MPR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50267167
PNG
(CHEMBL4081413)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1
Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...


J Med Chem 60: 1534-1554 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01801
BindingDB Entry DOI: 10.7270/Q2251MPR
More data for this
Ligand-Target Pair