BDBM50073992 ((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrahydro-[1,3]dioxolo[4',5':4,5]furo[2,3-d]isoxazol-3-yl)-methanol::CHEMBL93319

SMILES: CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1

InChI Key: InChIKey=PUAVIHWBWBQURE-YWIQKCBGSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50073992   

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-glucosidase A (Caldocellum saccharolyticum)	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-glucosidase from Caldocellum saccharolyticum				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus niger)	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-glucosidase from Caldocellum saccharolyticum				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus niger)	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase from Aspergillus orizae				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase from Aspergillus orizae				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair
Beta-glucosidase A (Caldocellum saccharolyticum)	BDBM50073992 (((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...) Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9| Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de chimie organique de l'Université de Lausanne Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 9: 277-8 (1999) BindingDB Entry DOI: 10.7270/Q28051T5
					More data for this Ligand-Target Pair