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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 = 'BDBM334030'   
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))
BDBM334030
PNG
((1S,2S)- or (1R,2R)-{[(3S)-3- {[9-ethyl-8-(2-methy...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CO)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O3/c1-3-28-18(14-7-22-12(2)23-8-14)26-17-19(28)24-11-25-20(17)31-15-4-5-27(9-15)21(30)16-6-13(16)10-29/h7-8,11,13,15-16,29H,3-6,9-10H2,1-2H3/t13?,15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

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


(Homo sapiens (Human))
BDBM334030
PNG
((1S,2S)- or (1R,2R)-{[(3S)-3- {[9-ethyl-8-(2-methy...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CO)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O3/c1-3-28-18(14-7-22-12(2)23-8-14)26-17-19(28)24-11-25-20(17)31-15-4-5-27(9-15)21(30)16-6-13(16)10-29/h7-8,11,13,15-16,29H,3-6,9-10H2,1-2H3/t13?,15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair