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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 = 'BDBM172645'   
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))
BDBM172645
PNG
(US9090628, 305)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r|
Show InChI InChI=1S/C26H38N8O/c1-17(2)34-25(28-19(4)30-34)22-16-32-12-13-35-23-15-27-21(14-20(23)24(32)29-22)18(3)31-8-10-33(11-9-31)26(5,6)7/h14-18H,8-13H2,1-7H3/t18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta (unknown origin)


ACS Med Chem Lett 8: 936-940 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00170
BindingDB Entry DOI: 10.7270/Q2CV4M7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172645
PNG
(US9090628, 305)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r|
Show InChI InChI=1S/C26H38N8O/c1-17(2)34-25(28-19(4)30-34)22-16-32-12-13-35-23-15-27-21(14-20(23)24(32)29-22)18(3)31-8-10-33(11-9-31)26(5,6)7/h14-18H,8-13H2,1-7H3/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2.81n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair