BDBM7968 2-aminoethane-1-thiol::Cysteamine

SMILES NCCS

InChI Key InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 14 PDB IDs match 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 4 hits for monomerid = 7968   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM7968(2-aminoethane-1-thiol | Cysteamine)
Affinity DataIC50: 3.31E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Radboud University

Curated by ChEMBL
LigandPNGBDBM7968(2-aminoethane-1-thiol | Cysteamine)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Radboud University

Curated by ChEMBL
LigandPNGBDBM7968(2-aminoethane-1-thiol | Cysteamine)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM7968(2-aminoethane-1-thiol | Cysteamine)
Affinity DataKi:  4.20E+4nM ΔG°:  -6.07kcal/molepH: 8.0 T: 2°CAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed