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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 = 'BDBM50279290'   
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))
BDBM50279290
PNG
(CHEMBL4171039)
Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...


ACS Med Chem Lett 8: 1048-1053 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00258
BindingDB Entry DOI: 10.7270/Q2ST7SBP
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50279290
PNG
(CHEMBL4171039)
Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 in human PBMCs assessed as reduction in MDP-stimulated IL8 secretion measured after 18 hrs


ACS Med Chem Lett 8: 1048-1053 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00258
BindingDB Entry DOI: 10.7270/Q2ST7SBP
More data for this
Ligand-Target Pair