BDBM50115620 3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole-4-carboxylic acid dihydroxyboranylmethyl-amide::Acylglycineboronic acid, 9::CHEMBL324688::N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID

SMILES: Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl

InChI Key: InChIKey=LSXNXXCBOPILJR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50115620   

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-lactamase AmpC (Escherichia coli)	BDBM50115620 (3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...) Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50115620 (3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...) Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Staphylococcus aureus)	BDBM50115620 (3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole...) Show SMILES Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl Show InChI InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair