BDBM50221033 CHEMBL420601

SMILES: NC(=O)c1cccc(c1)-n1nc2CCSc2c1O

InChI Key: InChIKey=PJMKRIKVCRFJAW-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 = 50221033   

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))	BDBM50221033 (CHEMBL420601) Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.97E+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))	BDBM50221033 (CHEMBL420601) Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.56E+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
MurC (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221033 (CHEMBL420601) Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.56E+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