BDBM50421218 CHEMBL2087636

SMILES: COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1

InChI Key: InChIKey=VOAIWILVTKUYGK-NSHDSACASA-N

Data: 2 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 2 hits for monomerid = 50421218   

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
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM50421218 (CHEMBL2087636) Show SMILES COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1 |r,t:12| Show InChI InChI=1S/C14H16N2O4S/c1-20-10-4-2-3-9(5-10)6-12(17)15-7-13-16-11(8-21-13)14(18)19/h2-5,11H,6-8H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
β-lactamase (Bla2) (Bacillus anthracis)	BDBM50421218 (CHEMBL2087636) Show SMILES COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1 |r,t:12| Show InChI InChI=1S/C14H16N2O4S/c1-20-10-4-2-3-9(5-10)6-12(17)15-7-13-16-11(8-21-13)14(18)19/h2-5,11H,6-8H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair