null

SMILES: OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=DBQRTMHYMFSPGI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485931   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50485931 (CHEMBL2178999) Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 |t:19| Show InChI InChI=1S/C22H24N2O3/c23-12-4-1-5-13-24-15-16-8-10-17(11-9-16)27-21-14-20(25)18-6-2-3-7-19(18)22(21)26/h2-3,6-11,14,24H,1,4-5,12-13,15,23H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-inhibitor c...				J Med Chem 55: 10490-500 (2012) Article DOI: 10.1021/jm301112z BindingDB Entry DOI: 10.7270/Q2BC42D7
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50485931 (CHEMBL2178999) Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 |t:19| Show InChI InChI=1S/C22H24N2O3/c23-12-4-1-5-13-24-15-16-8-10-17(11-9-16)27-21-14-20(25)18-6-2-3-7-19(18)22(21)26/h2-3,6-11,14,24H,1,4-5,12-13,15,23H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-substrate-i...				J Med Chem 55: 10490-500 (2012) Article DOI: 10.1021/jm301112z BindingDB Entry DOI: 10.7270/Q2BC42D7
					More data for this Ligand-Target Pair