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BDBM50261839 5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one::CHEMBL512834

SMILES: Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1

InChI Key: InChIKey=RQMVABRSLSHVJK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50261839   
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))
BDBM50261839
PNG
(5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihyd...)
Show SMILES Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-14-4-5-16(13-24-14)15-6-7-20-18(10-15)26(8-9-28-20)22-25-17-11-23(2,3)12-19(27)21(17)29-22/h4-7,10,13H,8-9,11-12H2,1-3H3
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n/an/a 26n/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))
BDBM50261839
PNG
(5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihyd...)
Show SMILES Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-14-4-5-16(13-24-14)15-6-7-20-18(10-15)26(8-9-28-20)22-25-17-11-23(2,3)12-19(27)21(17)29-22/h4-7,10,13H,8-9,11-12H2,1-3H3
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Article
PubMed
n/an/a 308n/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))
BDBM50261839
PNG
(5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihyd...)
Show SMILES Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-14-4-5-16(13-24-14)15-6-7-20-18(10-15)26(8-9-28-20)22-25-17-11-23(2,3)12-19(27)21(17)29-22/h4-7,10,13H,8-9,11-12H2,1-3H3
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Article
PubMed
n/an/a 164n/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))
BDBM50261839
PNG
(5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihyd...)
Show SMILES Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-14-4-5-16(13-24-14)15-6-7-20-18(10-15)26(8-9-28-20)22-25-17-11-23(2,3)12-19(27)21(17)29-22/h4-7,10,13H,8-9,11-12H2,1-3H3
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PC sid
UniChem

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Article
PubMed
n/an/a 73n/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