BDBM50338669 CHEMBL1684162::Neosalacinol

SMILES: OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO

InChI Key: InChIKey=RPLSMILMVIUFAQ-DORWBKLESA-N

Data: 10 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 11 hits for monomerid = 50338669   

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
Acidic alpha-glucosidase (Rattus norvegicus)	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat small intestinal maltase after 30 mins by glucose-oxidase method				Bioorg Med Chem Lett 21: 3159-62 (2011) Article DOI: 10.1016/j.bmcl.2011.02.109 BindingDB Entry DOI: 10.7270/Q2DF6RJC
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat small intestinal sucrase after 30 mins by glucose-oxidase method				Bioorg Med Chem Lett 21: 3159-62 (2011) Article DOI: 10.1016/j.bmcl.2011.02.109 BindingDB Entry DOI: 10.7270/Q2DF6RJC
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase method				Bioorg Med Chem Lett 21: 3159-62 (2011) Article DOI: 10.1016/j.bmcl.2011.02.109 BindingDB Entry DOI: 10.7270/Q2DF6RJC
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of rat sucrase				Bioorg Med Chem 16: 2734-40 (2008) Article DOI: 10.1016/j.bmc.2008.01.032 BindingDB Entry DOI: 10.7270/Q2FB53T0
					More data for this Ligand-Target Pair
Glycogen debranching enzyme (Homo sapiens (Human))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of amylo-1,6-glucosidase				Bioorg Med Chem 16: 2734-40 (2008) Article DOI: 10.1016/j.bmc.2008.01.032 BindingDB Entry DOI: 10.7270/Q2FB53T0
					More data for this Ligand-Target Pair
Alpha glucosidase (Homo sapiens (Human))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of rat isomaltase				Bioorg Med Chem 16: 2734-40 (2008) Article DOI: 10.1016/j.bmc.2008.01.032 BindingDB Entry DOI: 10.7270/Q2FB53T0
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat intestinal isomaltase				Bioorg Med Chem 19: 2015-22 (2011) Article DOI: 10.1016/j.bmc.2011.01.052 BindingDB Entry DOI: 10.7270/Q2J1044C
					More data for this Ligand-Target Pair
Acidic alpha-glucosidase (Rattus norvegicus)	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat intestinal maltase				Bioorg Med Chem 19: 2015-22 (2011) Article DOI: 10.1016/j.bmc.2011.01.052 BindingDB Entry DOI: 10.7270/Q2J1044C
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of rat intestinal sucrase				Bioorg Med Chem 19: 2015-22 (2011) Article DOI: 10.1016/j.bmc.2011.01.052 BindingDB Entry DOI: 10.7270/Q2J1044C
					More data for this Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase) (Rattus norvegicus (Rat))	BDBM50338669 (CHEMBL1684162 | Neosalacinol) Show SMILES OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C9H18O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-11,13-15H,1-4H2/t5-,6+,7+,8+,9-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of rat intestinal maltase				Bioorg Med Chem 16: 2734-40 (2008) Article DOI: 10.1016/j.bmc.2008.01.032 BindingDB Entry DOI: 10.7270/Q2FB53T0
					More data for this Ligand-Target Pair