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BDBM50239736 CHEMBL4074315::US10214537, Example 637

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=XHYZQSCPMBJYIL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50239736   
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))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)
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Article
US Patent
n/an/a 1n/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))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)
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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))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)
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Article
PubMed
n/an/a 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 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))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)
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Article
PubMed
n/an/a 28n/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/gamma isoform


(Homo sapiens (Human))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H20ClN7O2/c1-12(30)28-7-6-27(20(31)21(28,2)3)16-8-13(4-5-14(16)10-23)17-9-15(22)18-19(24)25-11-26-29(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,25,26)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 1n/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