BDBM50330579 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)benzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid::CHEMBL1236145

SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=JOVBKEMPKRSFDQ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330579   

TargetSerine/threonine-protein kinase Nek2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50330579(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of NEK2 assessed as inhibition of substrate phosphorylationMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Nek2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50330579(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of NEK2 by microfluidic assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Nek2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50330579(4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Affinity DataIC50:  710nMAssay Description:Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assayMore data for this Ligand-Target Pair