BDBM50070010 4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetidin-2-yloxy)-benzoic acid::CHEMBL122575

SMILES: C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O

InChI Key: InChIKey=BRYGRWNTDBRNDJ-YVEFUNNKSA-N

Data: 3 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 3 hits for monomerid = 50070010   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50070010 (4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...) Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit the mammalian Chymotrypsinogen by 50% was determined				Bioorg Med Chem Lett 8: 365-70 (1999) BindingDB Entry DOI: 10.7270/Q2HD7TTR
					More data for this Ligand-Target Pair
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50070010 (4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...) Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit the mutant alpha-Ala HCMV protease by 50% was determined				Bioorg Med Chem Lett 8: 365-70 (1999) BindingDB Entry DOI: 10.7270/Q2HD7TTR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50070010 (4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...) Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit the mammalian Acetylcholinesterase by 50% was determined				Bioorg Med Chem Lett 8: 365-70 (1999) BindingDB Entry DOI: 10.7270/Q2HD7TTR
					More data for this Ligand-Target Pair