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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thiosulfate sulfurtransferase' and Ligand = 'BDBM50450010'   
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
Thiosulfate sulfurtransferase


(Homo sapiens)		BDBM50450010
PNG
(CHEMBL4168023)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1
Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...

J Med Chem 61: 7345-7357 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00989
BindingDB Entry DOI: 10.7270/Q270840G
More data for this
Ligand-Target Pair