BDBM50168988 (2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL::CHEMBL425723

SMILES: OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1

InChI Key: InChIKey=OGMKEJTXCCFISS-MROQNXINSA-N

Data: 7 KI  5 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 12 hits for monomerid = 50168988   

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)	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	135	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 towards 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)	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.50E+3	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 towards alpha-Mannosidase isolated from Almond				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
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase (Homo sapiens (Human))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto 687 Curated by ChEMBL					Assay Description Inhibition of human ER alpha mannosidase 1				Bioorg Med Chem 20: 6945-59 (2012) Article DOI: 10.1016/j.bmc.2012.10.011 BindingDB Entry DOI: 10.7270/Q26T0NTC
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.33E+4	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
Golgi alpha-mannosidase II (Homo sapiens (Human))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto 687 Curated by ChEMBL					Assay Description Inhibition of human golgi alpha mannosidase 2				Bioorg Med Chem 20: 6945-59 (2012) Article DOI: 10.1016/j.bmc.2012.10.011 BindingDB Entry DOI: 10.7270/Q26T0NTC
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.25E+4	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))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.15E+4	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))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/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	2.50E+4	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))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/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	5.00E+4	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
Alpha-mannosidase (Glycine max)	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	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
Alpha-mannosidase (Glycine max)	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Sciences and Engineering Curated by ChEMBL					Assay Description Inhibition of alpha-Mannosidase isolated from almond				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
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50168988 ((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...) Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/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	5.00E+4	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