BDBM50511223 CHEMBL4589187

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

InChI Key: InChIKey=SSMLJUWXZFXWSF-VPENINKCSA-N

Data: 4 KI

PDB links: 5 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 4 hits for monomerid = 50511223   

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))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	12	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 6.7				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918
					More data for this Ligand-Target Pair
Beta-glucuronidase (Escherichia coli (Enterobacteria))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	12	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 6.7				J Med Chem 63: 4617-4627 (2020) Article DOI: 10.1021/acs.jmedchem.9b01918
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-glucuronidase (Escherichia coli (Enterobacteria))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	34	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				3D Structure (crystal)
Beta-glucuronidase (Bos taurus (Bovine))	BDBM50511223 (CHEMBL4589187) Show SMILES O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	48	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