BDBM50526862 CHEMBL1231367

SMILES: CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O

InChI Key: InChIKey=OBZSRKUYUGJGIM-JTQLQIEISA-N

Data: 1 KI

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50526862   

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
Bacterial beta-lactamase TEM (Escherichia coli)	BDBM50526862 (CHEMBL1231367) Show SMILES CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O |r| Show InChI InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM-1 beta-lactamase				J Med Chem 63: 1859-1881 (2020) Article DOI: 10.1021/acs.jmedchem.9b01279
					More data for this Ligand-Target Pair				3D Structure (crystal)