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BDBM50239733 CHEMBL4070029::US10214537, Example 594

SMILES: COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=WWWRCBJMKQTJNU-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 = 50239733   
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))
BDBM50239733
PNG
(CHEMBL4070029 | US10214537, Example 594)
Show SMILES COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H23ClN6O3/c1-12(29)27-8-7-26(20(30)21(27,2)3)16-9-13(5-6-17(16)31-4)15-10-14(22)18-19(23)24-11-25-28(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,23,24,25)
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US Patent
n/an/a 2n/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))
BDBM50239733
PNG
(CHEMBL4070029 | US10214537, Example 594)
Show SMILES COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H23ClN6O3/c1-12(29)27-8-7-26(20(30)21(27,2)3)16-9-13(5-6-17(16)31-4)15-10-14(22)18-19(23)24-11-25-28(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,23,24,25)
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Article
PubMed
n/an/a 230n/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))
BDBM50239733
PNG
(CHEMBL4070029 | US10214537, Example 594)
Show SMILES COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H23ClN6O3/c1-12(29)27-8-7-26(20(30)21(27,2)3)16-9-13(5-6-17(16)31-4)15-10-14(22)18-19(23)24-11-25-28(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,23,24,25)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 120n/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))
BDBM50239733
PNG
(CHEMBL4070029 | US10214537, Example 594)
Show SMILES COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H23ClN6O3/c1-12(29)27-8-7-26(20(30)21(27,2)3)16-9-13(5-6-17(16)31-4)15-10-14(22)18-19(23)24-11-25-28(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,23,24,25)
PDB
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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