BDBM50168994 2-Fluoro-benzoic acid 2-[((2R,3R,4S)-3,4-dihydroxy-pyrrolidin-2-ylmethyl)-amino]-2-phenyl-ethyl ester::CHEMBL191531

SMILES: O[C@H]1CN[C@H](CNC(COC(=O)c2ccccc2F)c2ccccc2)[C@H]1O

InChI Key: InChIKey=QQGVPSUXPTWEQC-NPKQBVGDSA-N

Data: 1 KI  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 2 hits for monomerid = 50168994   

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
Alpha-mannosidase (Glycine max)	BDBM50168994 (2-Fluoro-benzoic acid 2-[((2R,3R,4S)-3,4-dihydroxy...) Show SMILES O[C@H]1CN[C@H](CNC(COC(=O)c2ccccc2F)c2ccccc2)[C@H]1O Show InChI InChI=1S/C20H23FN2O4/c21-15-9-5-4-8-14(15)20(26)27-12-17(13-6-2-1-3-7-13)22-10-16-19(25)18(24)11-23-16/h1-9,16-19,22-25H,10-12H2/t16-,17?,18+,19-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Sciences and Engineering Curated by ChEMBL					Assay Description Binding affinity against alpha-Mannosidase isolated from Jack bean				J Med Chem 48: 4237-46 (2005) Article DOI: 10.1021/jm0409019 BindingDB Entry DOI: 10.7270/Q24J0DNV
					More data for this Ligand-Target Pair
Alpha-mannosidase (Glycine max)	BDBM50168994 (2-Fluoro-benzoic acid 2-[((2R,3R,4S)-3,4-dihydroxy...) Show SMILES O[C@H]1CN[C@H](CNC(COC(=O)c2ccccc2F)c2ccccc2)[C@H]1O Show InChI InChI=1S/C20H23FN2O4/c21-15-9-5-4-8-14(15)20(26)27-12-17(13-6-2-1-3-7-13)22-10-16-19(25)18(24)11-23-16/h1-9,16-19,22-25H,10-12H2/t16-,17?,18+,19-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Sciences and Engineering Curated by ChEMBL					Assay Description Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean				J Med Chem 48: 4237-46 (2005) Article DOI: 10.1021/jm0409019 BindingDB Entry DOI: 10.7270/Q24J0DNV
					More data for this Ligand-Target Pair