BDBM50300687 2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol-2-ylamino)-5-methylbenzenesulfonic acid::CHEMBL573503

SMILES: Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(c1)S(O)(=O)=O

InChI Key: InChIKey=LFAIDABUOLWUEQ-UHFFFAOYSA-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 = 50300687   

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
Penicillin-binding protein 2x (Streptococcus pneumoniae)	BDBM50300687 (2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol...) Show SMILES Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(c1)S(O)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S3/c1-10-2-7-13(14(8-10)26(21,22)23)18-16-20-19-15(25-16)9-24-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF) Curated by ChEMBL					Assay Description Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propi...				J Med Chem 52: 5926-36 (2009) Article DOI: 10.1021/jm900625q BindingDB Entry DOI: 10.7270/Q2NV9K68
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50300687 (2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol...) Show SMILES Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(c1)S(O)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S3/c1-10-2-7-13(14(8-10)26(21,22)23)18-16-20-19-15(25-16)9-24-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF) Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2X preincubated for 1 hr before addition of substrate (R)-[2-(benzoylamino)propiony...				J Med Chem 52: 5926-36 (2009) Article DOI: 10.1021/jm900625q BindingDB Entry DOI: 10.7270/Q2NV9K68
					More data for this Ligand-Target Pair