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BDBM50232440 CHEMBL4083101::US10214537, Example 618

SMILES: C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O

InChI Key: InChIKey=WSXJZZRZKYHADL-LGWFVXIRNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232440   
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))
BDBM50232440
PNG
(CHEMBL4083101 | US10214537, Example 618)
Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1/C27H32N8O2/c1-18-16-32(19(2)36)10-11-33(18)22-5-3-4-20(14-22)25-15-23(26-27(28)29-17-31-35(25)26)24-6-9-30-34(24)21-7-12-37-13-8-21/h3-6,9,14-15,17-18,21H,7-8,10-13,16H2,1-2H3,(H2,28,29,31)/t18-/s2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50232440
PNG
(CHEMBL4083101 | US10214537, Example 618)
Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1/C27H32N8O2/c1-18-16-32(19(2)36)10-11-33(18)22-5-3-4-20(14-22)25-15-23(26-27(28)29-17-31-35(25)26)24-6-9-30-34(24)21-7-12-37-13-8-21/h3-6,9,14-15,17-18,21H,7-8,10-13,16H2,1-2H3,(H2,28,29,31)/t18-/s2
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 1.70n/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