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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50239740'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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US Patent
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
PDB
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair