BDBM50511224 CHEMBL4589322

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

InChI Key: InChIKey=YLKFQNUGXOLRNI-QDQPNEQZSA-N

Data: 2 KI

PDB links: 3 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 2 hits for monomerid = 50511224   

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-glucuronidase (Bos taurus (Bovine))	BDBM50511224 (CHEMBL4589322) Show SMILES O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 4.5				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918
					More data for this Ligand-Target Pair
Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria))	BDBM50511224 (CHEMBL4589322) Show SMILES O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 5.5				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918
					More data for this Ligand-Target Pair