BDBM50189917 (R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid::5-(3-amino-3-carboxypropylthio)pentanoic acid::CHEMBL211229

SMILES NC(CCSCCCCC(O)=O)C(O)=O

InChI Key InChIKey=BMONDXDFXRPNKQ-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 Kd

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 5 hits for monomerid = 50189917   

TargetBetaine--homocysteine S-methyltransferase 1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataKi:  12nMAssay Description:Binding affinity to human recombinant BHMT expressed in Escherichia coli using variable levels of betaine substrate by Dixon plotMore data for this Ligand-Target Pair
TargetBetaine--homocysteine S-methyltransferase 1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataKd:  280nMAssay Description:Binding affinity to human recombinant BHMT expressed in Escherichia coli by intrinsic tryptophan fluorescence studiesMore data for this Ligand-Target Pair
TargetBetaine--homocysteine S-methyltransferase 1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataIC50:  93nMAssay Description:Inhibition of human recombinant BHMT using N-methyl-[14C]-betaine/D,L-homocysteine as substrate after 30 mins by scintiillation counting analysisMore data for this Ligand-Target Pair
TargetBetaine--homocysteine S-methyltransferase 1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataIC50:  87nMAssay Description:Inhibition of human BHMTMore data for this Ligand-Target Pair
TargetBetaine--homocysteine S-methyltransferase 1(Homo sapiens (Human))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50189917((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Affinity DataIC50:  138nMAssay Description:Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrateMore data for this Ligand-Target Pair