BDBM50221022 CHEMBL86525

SMILES: Oc1c2SCCc2nn1-c1cccc(Cl)c1

InChI Key: InChIKey=YEZZCYIHKSMSGX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50221022   

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
MurC (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221022 (CHEMBL86525) Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1 Show InChI InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase				Bioorg Med Chem Lett 13: 2591-4 (2003) BindingDB Entry DOI: 10.7270/Q20P126D
					More data for this Ligand-Target Pair
MurD (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221022 (CHEMBL86525) Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1 Show InChI InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase				Bioorg Med Chem Lett 13: 2591-4 (2003) BindingDB Entry DOI: 10.7270/Q20P126D
					More data for this Ligand-Target Pair
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221022 (CHEMBL86525) Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1 Show InChI InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase				Bioorg Med Chem Lett 13: 2591-4 (2003) BindingDB Entry DOI: 10.7270/Q20P126D
					More data for this Ligand-Target Pair