BDBM50221027 CHEMBL327438

SMILES: Oc1c2SCCc2nn1-c1cccc(c1)C#N

InChI Key: InChIKey=FSVRZNNRTWZXNC-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 = 50221027   

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
MurD (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221027 (CHEMBL327438) Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.52E+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
MurC (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221027 (CHEMBL327438) Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.34E+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
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221027 (CHEMBL327438) Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,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	5.75E+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