BDBM50270351 (2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-N-cycloheptyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::CHEMBL479202

SMILES: O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1

InChI Key: InChIKey=YGUZZLBTRCUATL-YRXWBPOGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50270351   

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
6-phospho-1-fructokinase (Trypanosoma brucei)	BDBM50270351 ((2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-...) Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C20H28Cl2N2O4/c21-14-8-7-12(9-15(14)22)10-23-11-16-17(25)18(26)19(28-16)20(27)24-13-5-3-1-2-4-6-13/h7-9,13,16-19,23,25-26H,1-6,10-11H2,(H,24,27)/t16-,17-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei phosphofructokinase				Bioorg Med Chem 16: 5050-61 (2008) Article DOI: 10.1016/j.bmc.2008.03.045 BindingDB Entry DOI: 10.7270/Q21J99JR
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