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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 = 'BDBM50504977'   
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))
BDBM50504977
PNG
(CHEMBL4453606)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
Show InChI InChI=1S/C17H17N5O2S/c18-16(24)14-15(9-1-2-13-11(5-9)19-7-25-13)21-22-6-8-3-10(12(23)4-8)20-17(14)22/h1-2,5,7-8,10,12,20,23H,3-4,6H2,(H2,18,24)/t8-,10+,12+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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))
BDBM50504977
PNG
(CHEMBL4453606)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|
Show InChI InChI=1S/C17H17N5O2S/c18-16(24)14-15(9-1-2-13-11(5-9)19-7-25-13)21-22-6-8-3-10(12(23)4-8)20-17(14)22/h1-2,5,7-8,10,12,20,23H,3-4,6H2,(H2,18,24)/t8-,10+,12+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/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