BDBM50263049 (3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-phenylethylamino)methyl)-1-methylpyrrolidin-2-one::(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one::CHEMBL476926

SMILES: CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O

InChI Key: InChIKey=DNDCXXSXVWBCJF-UMSGYPCISA-N

Data: 3 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50263049   

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
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human LNZ308 cells				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human HCEC				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human LN18 cells				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human LN18 cells				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human LNZ308 cells				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50263049 ((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...) Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r| Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique Fédérale de Lausanne Curated by ChEMBL					Assay Description Inhibition of alpha-mannosidase in human HCEC				Bioorg Med Chem 16: 7337-46 (2008) Article DOI: 10.1016/j.bmc.2008.06.021 BindingDB Entry DOI: 10.7270/Q2668D0J
					More data for this Ligand-Target Pair