BDBM50221024 CHEMBL86851

SMILES: CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O

InChI Key: InChIKey=MBDLCGUEJPOKQA-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 = 50221024   

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
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221024 (CHEMBL86851) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.11E+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
MurD (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221024 (CHEMBL86851) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.11E+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))	BDBM50221024 (CHEMBL86851) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>9.11E+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