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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50537723'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50537723
PNG
(CHEMBL4639951 | US11230547, Compound 1-16)
Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
Show InChI InChI=1S/C20H18FN7/c1-26-10-14(9-24-26)19-23-8-13(7-22)20(25-19)28-12-17-6-18(28)11-27(17)16-4-2-3-15(21)5-16/h2-5,8-10,17-18H,6,11-12H2,1H3/t17-,18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
This assay was developed and further optimized from a kit produced by Upstate (Millipore catalog #33-047) (Millipore Sigma, Billerica Mass., USA) and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K35XTR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537723
PNG
(CHEMBL4639951 | US11230547, Compound 1-16)
Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
Show InChI InChI=1S/C20H18FN7/c1-26-10-14(9-24-26)19-23-8-13(7-22)20(25-19)28-12-17-6-18(28)11-27(17)16-4-2-3-15(21)5-16/h2-5,8-10,17-18H,6,11-12H2,1H3/t17-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.96E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair