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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50239726   
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))
BDBM50239726
PNG
(CHEMBL4091840 | US10214537, Example 479)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(Cl)n2C)c2c(N)ncnn12
Show InChI InChI=1S/C24H25ClN8O2/c1-14(34)32-9-8-31(22(35)24(32,2)3)16-7-5-6-15(10-16)18-11-17(19-12-27-23(25)30(19)4)20-21(26)28-13-29-33(18)20/h5-7,10-13H,8-9H2,1-4H3,(H2,26,28,29)
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US Patent
n/an/a 3n/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))
BDBM50239726
PNG
(CHEMBL4091840 | US10214537, Example 479)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(Cl)n2C)c2c(N)ncnn12
Show InChI InChI=1S/C24H25ClN8O2/c1-14(34)32-9-8-31(22(35)24(32,2)3)16-7-5-6-15(10-16)18-11-17(19-12-27-23(25)30(19)4)20-21(26)28-13-29-33(18)20/h5-7,10-13H,8-9H2,1-4H3,(H2,26,28,29)
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Article
PubMed
n/an/a 3.30n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50239726
PNG
(CHEMBL4091840 | US10214537, Example 479)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(Cl)n2C)c2c(N)ncnn12
Show InChI InChI=1S/C24H25ClN8O2/c1-14(34)32-9-8-31(22(35)24(32,2)3)16-7-5-6-15(10-16)18-11-17(19-12-27-23(25)30(19)4)20-21(26)28-13-29-33(18)20/h5-7,10-13H,8-9H2,1-4H3,(H2,26,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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