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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystathionine beta-synthase' and Ligand = 'BDBM50108773'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystathionine beta-synthase


(Homo sapiens (Human))
BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.56E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...


Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair