BDBM50511221 CHEMBL4451253

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

InChI Key: InChIKey=FBBVTGIVZAYALR-YWIQKCBGSA-N

Data: 4 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 4 hits for monomerid = 50511221   

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 (EcGUS) (Escherichia coli (Enterobacteria))	BDBM50511221 (CHEMBL4451253) Show SMILES CCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	74	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 (EcGUS) (Escherichia coli (Enterobacteria))	BDBM50511221 (CHEMBL4451253) Show SMILES CCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	182	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))	BDBM50511221 (CHEMBL4451253) Show SMILES CCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.87E+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 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 (Bos taurus (Bovine))	BDBM50511221 (CHEMBL4451253) Show SMILES CCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.22E+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 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