Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM28343'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM28343 (4-phenyl-1-({[2-(phenylsulfanyl)phenyl]carbamoyl}m...) Show SMILES O=C(C[NH+]1CCN(CC1)c1ccccc1)Nc1ccccc1Sc1ccccc1 Show InChI InChI=1S/C24H25N3OS/c28-24(19-26-15-17-27(18-16-26)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,25,28)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	22
University of Alberta					Assay Description Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...				J Med Chem 52: 1670-80 (2009) Article DOI: 10.1021/jm801306g BindingDB Entry DOI: 10.7270/Q2K35S0B
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM28343 (4-phenyl-1-({[2-(phenylsulfanyl)phenyl]carbamoyl}m...) Show SMILES O=C(C[NH+]1CCN(CC1)c1ccccc1)Nc1ccccc1Sc1ccccc1 Show InChI InChI=1S/C24H25N3OS/c28-24(19-26-15-17-27(18-16-26)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,25,28)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	22
University of Alberta					Assay Description Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...				J Med Chem 52: 1670-80 (2009) Article DOI: 10.1021/jm801306g BindingDB Entry DOI: 10.7270/Q2K35S0B
					More data for this Ligand-Target Pair