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BDBM50239747 CHEMBL4064543::US10214537, Example 600

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F

InChI Key: InChIKey=SADJLFLGZBYVDQ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50239747   
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/gamma isoform


(Homo sapiens (Human))
BDBM50239747
PNG
(CHEMBL4064543 | US10214537, Example 600)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-12(31)29-8-7-28(19(32)20(29,2)3)14-6-4-5-13(9-14)16-10-15(21(22,23)24)17-18(25)26-11-27-30(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,25,26,27)
PDB
MMDB

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PC sid
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Article
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)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239747
PNG
(CHEMBL4064543 | US10214537, Example 600)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-12(31)29-8-7-28(19(32)20(29,2)3)14-6-4-5-13(9-14)16-10-15(21(22,23)24)17-18(25)26-11-27-30(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,25,26,27)
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PC sid
UniChem

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Article
PubMed
n/an/a 2.40n/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/gamma isoform


(Homo sapiens (Human))
BDBM50239747
PNG
(CHEMBL4064543 | US10214537, Example 600)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-12(31)29-8-7-28(19(32)20(29,2)3)14-6-4-5-13(9-14)16-10-15(21(22,23)24)17-18(25)26-11-27-30(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,25,26,27)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 72n/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/gamma isoform


(Homo sapiens (Human))
BDBM50239747
PNG
(CHEMBL4064543 | US10214537, Example 600)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-12(31)29-8-7-28(19(32)20(29,2)3)14-6-4-5-13(9-14)16-10-15(21(22,23)24)17-18(25)26-11-27-30(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,25,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair