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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 = 'BDBM50396623'   
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))
BDBM50396623
PNG
(CHEMBL2171923 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C31H31FN4O2/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-14-37-15-10-31)25-8-6-23(19-28(25)36)35-12-16-38-17-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50396623
PNG
(CHEMBL2171923 | US8765940, 1-(7-fluoro-3-methyl-2-...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C31H31FN4O2/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-14-37-15-10-31)25-8-6-23(19-28(25)36)35-12-16-38-17-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human B cells assessed as inhibition of anti-IgM/CD40L-induced proliferation after 72 hrs by [3H]thymidine incorporation a...


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair