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BDBM50064291 CHEMBL1957775

SMILES: COc1cc(\C=C2/NC(=S)NC2=O)ccc1O

InChI Key: InChIKey=KLXSKUUJNRMADB-DAXSKMNVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064291   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystathionine beta-synthase


(Homo sapiens (Human))
BDBM50064291
PNG
(CHEMBL1957775)
Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1O
Show InChI InChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.87E+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