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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thiosulfate sulfurtransferase' and Ligand = 'BDBM50468055'   
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)		BDBM50468055
PNG
(CHEMBL4282354)
Show SMILES COc1ccccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H16N2O2S2/c1-25-18-8-4-2-6-16(18)20(24)22-14-10-12-15(13-11-14)26-21-23-17-7-3-5-9-19(17)27-21/h2-13H,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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 in absence of compound followed by compo...

J Med Chem 61: 10651-10664 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01293
BindingDB Entry DOI: 10.7270/Q2MG7S6W
More data for this
Ligand-Target Pair