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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM25198'   
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))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

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PC cid
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP2K in Pam2CSK4-stimulated HEK-293 cells over-expressing TLR2 assessed as IL8 secretion


J Med Chem 59: 4867-80 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)