BDBM50537138 CHEMBL4531690

SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3

InChI Key InChIKey=KTSDBMVHAKWDRK-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50537138   

TargetCyclin-G-associated kinase(Homo sapiens (Human))
Johann Wolfgang Goethe University

Curated by ChEMBL
LigandPNGBDBM50537138(CHEMBL4531690)
Affinity DataKi:  3.80nMAssay Description:Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
Johann Wolfgang Goethe University

Curated by ChEMBL
LigandPNGBDBM50537138(CHEMBL4531690)
Affinity DataIC50:  0.0110nMAssay Description:Displacement of fluorescent tracer from N-terminus of human RIPK2 expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Johann Wolfgang Goethe University

Curated by ChEMBL
LigandPNGBDBM50537138(CHEMBL4531690)
Affinity DataIC50:  0.0600nMAssay Description:Displacement of fluorescent tracer from N-terminus of human GAK expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed