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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 = 'BDBM50504963'   
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))
BDBM50504963
PNG
(CHEMBL4551566)
Show SMILES [H][C@]12CC[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
Show InChI InChI=1S/C17H17N5OS/c18-16(23)14-15(10-2-4-13-12(6-10)19-8-24-13)21-22-7-9-1-3-11(5-9)20-17(14)22/h2,4,6,8-9,11,20H,1,3,5,7H2,(H2,18,23)/t9-,11+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length FLAG/His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system after 10 mins by fluorescent polarization...


ACS Med Chem Lett 10: 1518-1523 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00141
BindingDB Entry DOI: 10.7270/Q2R49V11
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50504963
PNG
(CHEMBL4551566)
Show SMILES [H][C@]12CC[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
Show InChI InChI=1S/C17H17N5OS/c18-16(23)14-15(10-2-4-13-12(6-10)19-8-24-13)21-22-7-9-1-3-11(5-9)20-17(14)22/h2,4,6,8-9,11,20H,1,3,5,7H2,(H2,18,23)/t9-,11+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 in MDP-stimulated human whole blood assessed as TNF-alpha level preincubated for 30 mins followed by MDP stimulation and measured...


ACS Med Chem Lett 10: 1518-1523 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00141
BindingDB Entry DOI: 10.7270/Q2R49V11
More data for this
Ligand-Target Pair