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SMILES: CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1

InChI Key: InChIKey=FGYFHSJPCQLYOA-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 = 50262174   
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))
BDBM50262174
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H20N4O2S/c1-20(2)8-14-18(16(25)9-20)27-19(23-14)24-5-6-26-17-4-3-12(7-15(17)24)13-10-21-22-11-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,21,22)
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n/an/a 17n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin)


Bioorg Med Chem Lett 18: 4700-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.104
BindingDB Entry DOI: 10.7270/Q2VM4C2J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50262174
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H20N4O2S/c1-20(2)8-14-18(16(25)9-20)27-19(23-14)24-5-6-26-17-4-3-12(7-15(17)24)13-10-21-22-11-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 298n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin)


Bioorg Med Chem Lett 18: 4700-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.104
BindingDB Entry DOI: 10.7270/Q2VM4C2J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262174
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H20N4O2S/c1-20(2)8-14-18(16(25)9-20)27-19(23-14)24-5-6-26-17-4-3-12(7-15(17)24)13-10-21-22-11-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 188n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)


Bioorg Med Chem Lett 18: 4700-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.104
BindingDB Entry DOI: 10.7270/Q2VM4C2J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262174
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H20N4O2S/c1-20(2)8-14-18(16(25)9-20)27-19(23-14)24-5-6-26-17-4-3-12(7-15(17)24)13-10-21-22-11-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 77n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin)


Bioorg Med Chem Lett 18: 4700-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.104
BindingDB Entry DOI: 10.7270/Q2VM4C2J
More data for this
Ligand-Target Pair