BDBM50512952 CHEMBL4560540

SMILES: [H][C@]12CN([C@H](CN)C=C1c1cnco1)C(=O)N2OS(O)(=O)=O

InChI Key: InChIKey=RQMMVNCSQSPAIB-XPUUQOCRSA-N

Data: 1 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 1 hit for monomerid = 50512952   

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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50512952 (CHEMBL4560540) Show SMILES [H][C@]12CN([C@H](CN)C=C1c1cnco1)C(=O)N2OS(O)(=O)=O |r,c:7| Show InChI InChI=1S/C10H12N4O6S/c11-2-6-1-7(9-3-12-5-19-9)8-4-13(6)10(15)14(8)20-21(16,17)18/h1,3,5-6,8H,2,4,11H2,(H,16,17,18)/t6-,8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...				J Med Chem 62: 4742-4754 (2019) Article DOI: 10.1021/acs.jmedchem.9b00338
					More data for this Ligand-Target Pair