BDBM50403656 CHEMBL4169444

SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC(=O)NCC(=O)Nc3ccc(OC)c(Nc4ncc(Cl)c(Nc5ccccc5S(=O)(=O)C(C)C)n4)c3)CC2)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key InChIKey=PCZPCAVDDOCXEZ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50403656   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50403656(CHEMBL4169444)
Affinity DataIC50:  85nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to recombinant HSP90alpha (unknown origin) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50403656(CHEMBL4169444)
Affinity DataIC50:  36nMAssay Description:Inhibition of ALK G1202R mutant (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50403656(CHEMBL4169444)
Affinity DataIC50:  6.90nMAssay Description:Inhibition of recombinant ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50403656(CHEMBL4169444)
Affinity DataIC50:  8.70nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed