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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM50467989'   
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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50467989
PNG
(CHEMBL4282034)
Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc...


ACS Med Chem Lett 9: 1039-1044 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50467989
PNG
(CHEMBL4282034)
Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu...


ACS Med Chem Lett 9: 1039-1044 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV
More data for this
Ligand-Target Pair