Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM28344'   

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)	BDBM28344 (4-carbamoyl-1-({[2-(phenylsulfanyl)phenyl]carbamoy...) Show SMILES NC(=O)C1(CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1)[NH+]1CCCCC1 |(16,-3.68,;17.33,-2.91,;16.56,-1.57,;18.66,-3.68,;20,-4.45,;20,-5.99,;18.66,-6.76,;17.89,-8.09,;18.66,-9.42,;20.2,-9.42,;17.89,-10.76,;18.66,-12.09,;20.2,-12.09,;20.97,-13.42,;20.2,-14.76,;18.66,-14.76,;17.89,-13.42,;16.35,-13.42,;15.58,-14.76,;16.35,-16.09,;15.58,-17.43,;14.04,-17.43,;13.27,-16.09,;14.04,-14.76,;17.33,-5.99,;17.33,-4.45,;19.43,-2.34,;19.43,-.8,;20.77,-.03,;22.1,-.8,;22.1,-2.34,;20.77,-3.11,)| Show InChI InChI=1S/C25H32N4O2S/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-21-11-5-6-12-22(21)32-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)/p+2	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)	BDBM28344 (4-carbamoyl-1-({[2-(phenylsulfanyl)phenyl]carbamoy...) Show SMILES NC(=O)C1(CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1)[NH+]1CCCCC1 |(16,-3.68,;17.33,-2.91,;16.56,-1.57,;18.66,-3.68,;20,-4.45,;20,-5.99,;18.66,-6.76,;17.89,-8.09,;18.66,-9.42,;20.2,-9.42,;17.89,-10.76,;18.66,-12.09,;20.2,-12.09,;20.97,-13.42,;20.2,-14.76,;18.66,-14.76,;17.89,-13.42,;16.35,-13.42,;15.58,-14.76,;16.35,-16.09,;15.58,-17.43,;14.04,-17.43,;13.27,-16.09,;14.04,-14.76,;17.33,-5.99,;17.33,-4.45,;19.43,-2.34,;19.43,-.8,;20.77,-.03,;22.1,-.8,;22.1,-2.34,;20.77,-3.11,)| Show InChI InChI=1S/C25H32N4O2S/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-21-11-5-6-12-22(21)32-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)/p+2	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