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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 alpha isoform' and Ligand = 'BDBM244228'   
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 alpha isoform


(Homo sapiens (Human))
BDBM244228
PNG
(US9428501, 37)
Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cn1
Show InChI InChI=1S/C32H34F2N6O4/c1-42-29-7-3-22(18-35-29)20-38-10-8-23(9-11-38)24-4-5-25-26(17-24)37-30(36-25)31(41)40-14-12-39(13-15-40)19-21-2-6-27-28(16-21)44-32(33,34)43-27/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM244228
PNG
(US9428501, 37)
Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cn1
Show InChI InChI=1S/C32H34F2N6O4/c1-42-29-7-3-22(18-35-29)20-38-10-8-23(9-11-38)24-4-5-25-26(17-24)37-30(36-25)31(41)40-14-12-39(13-15-40)19-21-2-6-27-28(16-21)44-32(33,34)43-27/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/a7.5n/a



Astellas Pharma Inc.

US Patent


Assay Description
Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...


US Patent US9428501 (2016)


BindingDB Entry DOI: 10.7270/Q28051JK
More data for this
Ligand-Target Pair