BDBM50254814 CHEMBL4059912

SMILES C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4

InChI Key InChIKey=LMQOZGSVTQQPFU-UHFFFAOYSA-N

Data  2 IC50  1 EC50

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 = 50254814   

TargetSerine/threonine-protein kinase Chk1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50254814(CHEMBL4059912)
Affinity DataEC50:  8nMAssay Description:Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-induced G2/M phase arrestMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50254814(CHEMBL4059912)
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2019
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50254814(CHEMBL4059912)
Affinity DataIC50: 6nMAssay Description:Inhibition of CHK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)