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BDBM50239739 CHEMBL4073255::US10214537, Example 629

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F

InChI Key: InChIKey=ATZMZZJKKDYBNG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239739   
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))
BDBM50239739
PNG
(CHEMBL4073255 | US10214537, Example 629)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O4S/c1-12(32)30-8-7-29(20(33)21(30,2)3)16-9-13(5-6-17(16)36(4,34)35)15-10-14(22(23,24)25)18-19(26)27-11-28-31(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,26,27,28)
PDB
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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))
BDBM50239739
PNG
(CHEMBL4073255 | US10214537, Example 629)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O4S/c1-12(32)30-8-7-29(20(33)21(30,2)3)16-9-13(5-6-17(16)36(4,34)35)15-10-14(22(23,24)25)18-19(26)27-11-28-31(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,26,27,28)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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))
BDBM50239739
PNG
(CHEMBL4073255 | US10214537, Example 629)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O4S/c1-12(32)30-8-7-29(20(33)21(30,2)3)16-9-13(5-6-17(16)36(4,34)35)15-10-14(22(23,24)25)18-19(26)27-11-28-31(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,26,27,28)
PDB
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B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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))
BDBM50239739
PNG
(CHEMBL4073255 | US10214537, Example 629)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O4S/c1-12(32)30-8-7-29(20(33)21(30,2)3)16-9-13(5-6-17(16)36(4,34)35)15-10-14(22(23,24)25)18-19(26)27-11-28-31(15)18/h5-6,9-11H,7-8H2,1-4H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/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