BDBM50475582 CHEMBL199511

SMILES: COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F

InChI Key: InChIKey=NUINPDIQARLPOW-NKVSQWTQSA-N

Data: 4 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 4 hits for monomerid = 50475582   

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))	BDBM50475582 (CHEMBL199511) Show SMILES COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:9| Show InChI InChI=1S/C25H15Cl2F3O4/c1-33-20-8-13(6-7-18(20)17-4-2-3-5-19(17)25(28,29)30)9-21-23(31)22(24(32)34-21)14-10-15(26)12-16(27)11-14/h2-12,32H,1H3/b21-9-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Staphylococcus aureus				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50475582 (CHEMBL199511) Show SMILES COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:9| Show InChI InChI=1S/C25H15Cl2F3O4/c1-33-20-8-13(6-7-18(20)17-4-2-3-5-19(17)25(28,29)30)9-21-23(31)22(24(32)34-21)14-10-15(26)12-16(27)11-14/h2-12,32H,1H3/b21-9-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurA in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
MurD (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50475582 (CHEMBL199511) Show SMILES COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:9| Show InChI InChI=1S/C25H15Cl2F3O4/c1-33-20-8-13(6-7-18(20)17-4-2-3-5-19(17)25(28,29)30)9-21-23(31)22(24(32)34-21)14-10-15(26)12-16(27)11-14/h2-12,32H,1H3/b21-9-	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurD in Staphylococcus aureus				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50475582 (CHEMBL199511) Show SMILES COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:9| Show InChI InChI=1S/C25H15Cl2F3O4/c1-33-20-8-13(6-7-18(20)17-4-2-3-5-19(17)25(28,29)30)9-21-23(31)22(24(32)34-21)14-10-15(26)12-16(27)11-14/h2-12,32H,1H3/b21-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurB in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair