BDBM50587115 CHEMBL5093243

SMILES CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O

InChI Key InChIKey=ZZXRTUPPMIMREQ-UHFFFAOYSA-N

Data  1 IC50  2 Koff

  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 = 50587115   

TargetEndoplasmin(Dog)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50587115(CHEMBL5093243)
Affinity DataIC50: 60nMAssay Description:Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetEndoplasmin(Dog)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50587115(CHEMBL5093243)
Affinity DataKon:  0.0284M-1s-1Assay Description:Binding affinity to GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 0.37 to 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50587115(CHEMBL5093243)
Affinity DataKon:  0.114M-1s-1Assay Description:Binding affinity to His-tagged human N-terminal HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed