BDBM50386414 CHEMBL2047304

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

InChI Key: InChIKey=GEOMEGGBZJDJBR-AQGZQOMWSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50386414   

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-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386414 (CHEMBL2047304) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C14H25N3O7/c1-6(14(22)23)16-13(21)7(2)24-12-9(17-8(3)19)4-15-10(5-18)11(12)20/h6-7,9-12,15,18,20H,4-5H2,1-3H3,(H,16,21)(H,17,19)(H,22,23)/t6-,7+,9-,10+,11+,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386414 (CHEMBL2047304) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C14H25N3O7/c1-6(14(22)23)16-13(21)7(2)24-12-9(17-8(3)19)4-15-10(5-18)11(12)20/h6-7,9-12,15,18,20H,4-5H2,1-3H3,(H,16,21)(H,17,19)(H,22,23)/t6-,7+,9-,10+,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair