BDBM119115 MurF inhibitor (compound 57)

SMILES: Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1

InChI Key: InChIKey=FXYHQHBWLYBABZ-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 = 119115   

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
MurF (S. pneumoniae) (Streptococcus pneumoniae (Firmicutes))	BDBM119115 (MurF inhibitor (compound 57)) Show SMILES Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1 |c:37| Show InChI InChI=1S/C26H26Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-6-8-37-9-7-32)11-19(21)25(34)30-26-20(13-29)18-4-5-31(15-23(18)38-26)14-16-2-1-3-17(33)10-16/h1-3,10-12,18,23,33H,4-9,14-15H2,(H,30,34)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurF (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM119115 (MurF inhibitor (compound 57)) Show SMILES Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1 |c:37| Show InChI InChI=1S/C26H26Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-6-8-37-9-7-32)11-19(21)25(34)30-26-20(13-29)18-4-5-31(15-23(18)38-26)14-16-2-1-3-17(33)10-16/h1-3,10-12,18,23,33H,4-9,14-15H2,(H,30,34)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurF (Escherichia coli)	BDBM119115 (MurF inhibitor (compound 57)) Show SMILES Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1 |c:37| Show InChI InChI=1S/C26H26Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-6-8-37-9-7-32)11-19(21)25(34)30-26-20(13-29)18-4-5-31(15-23(18)38-26)14-16-2-1-3-17(33)10-16/h1-3,10-12,18,23,33H,4-9,14-15H2,(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair