BDBM50003677 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid::4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid::4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid::Ambochlorin::CHEMBL515::CHLORAMBUCIL::Leukeran::N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid::chloraminophen::gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid::phenylbutyric acid nitrogen mustard

SMILES OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl

InChI Key InChIKey=JCKYGMPEJWAADB-UHFFFAOYSA-N

Data  5 KI  7 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 1 hit for monomerid = 50003677   

TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Leicester

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataIC50:  6.51E+4nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed