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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit beta' and Ligand = 'BDBM350430'   
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 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM350430
PNG
(US10208066, Compound 49 | US10611777, Compound 49)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-2-4-12(29)5-3-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)


BindingDB Entry DOI: 10.7270/Q26113BX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM350430
PNG
(US10208066, Compound 49 | US10611777, Compound 49)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-2-4-12(29)5-3-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
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 1n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair