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PDB code 5AR7

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output