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BDBM50232431 CHEMBL4087086::US10214537, Example 263

SMILES: C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=UTALNTATWBCQKJ-KDURUIRLSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50232431   
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))
BDBM50232431
PNG
(CHEMBL4087086 | US10214537, Example 263)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+
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Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232431
PNG
(CHEMBL4087086 | US10214537, Example 263)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+
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US Patent
n/an/a 6n/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)

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


(Homo sapiens (Human))
BDBM50232431
PNG
(CHEMBL4087086 | US10214537, Example 263)
Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 239n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair