BDBM50350758 CHEMBL1818433

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

InChI Key: InChIKey=QPYJXFZUIJOGNX-PBXRRBTRSA-N

Data: 3 KI  6 IC50

PDB links: 4 PDB IDs match 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 9 hits for monomerid = 50350758   

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
Beta-galactosidase (Escherichia coli)	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...				Bioorg Med Chem Lett 26: 1438-42 (2016) BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...				Bioorg Med Chem Lett 26: 1438-42 (2016) BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
β-galactosidase (Bos taurus (Bovine))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometry				Bioorg Med Chem 19: 3558-68 (2011) Article DOI: 10.1016/j.bmc.2011.04.011 BindingDB Entry DOI: 10.7270/Q2BC3ZWW
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans& CNRS Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 160-170 (2017) Article DOI: 10.1016/j.ejmech.2016.09.095 BindingDB Entry DOI: 10.7270/Q21G0PHR
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of human lysosome beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrat...				Bioorg Med Chem 19: 3558-68 (2011) Article DOI: 10.1016/j.bmc.2011.04.011 BindingDB Entry DOI: 10.7270/Q2BC3ZWW
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans& CNRS Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 160-170 (2017) Article DOI: 10.1016/j.ejmech.2016.09.095 BindingDB Entry DOI: 10.7270/Q21G0PHR
					More data for this Ligand-Target Pair
Lactase-glycosylceramidase (Rattus norvegicus)	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of rat intestinal lactase assessed as production of p-nitrophenol by spectrophotometry				Bioorg Med Chem 19: 3558-68 (2011) Article DOI: 10.1016/j.bmc.2011.04.011 BindingDB Entry DOI: 10.7270/Q2BC3ZWW
					More data for this Ligand-Target Pair
Glucosylceramidase (Bos taurus)	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrate ...				Bioorg Med Chem 19: 3558-68 (2011) Article DOI: 10.1016/j.bmc.2011.04.011 BindingDB Entry DOI: 10.7270/Q2BC3ZWW
					More data for this Ligand-Target Pair