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BDBM50262224 6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one::6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one::CHEMBL512440

SMILES: Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1

InChI Key: InChIKey=WGINENHXAFXAQX-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50262224   
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))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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n/an/a 32n/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 gamma isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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n/an/a 78n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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PubMed
n/an/a 78n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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PubMed
n/an/a 540n/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 delta isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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PubMed
n/an/a 32n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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PubMed
n/an/a 295n/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