BDBM50563359 CHEMBL4787021

SMILES COc1cc(NCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

InChI Key InChIKey=CMVRVFZXCSVCKY-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50563359   

TargetALK tyrosine kinase receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50563359(CHEMBL4787021)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50563359(CHEMBL4787021)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ALK G1202R mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50563359(CHEMBL4787021)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ROS1 (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50563359(CHEMBL4787021)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50563359(CHEMBL4787021)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using Srctide as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed