BDBM50475600 CHEMBL381006

SMILES: COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC

InChI Key: InChIKey=CZJVCOMYFVUNSH-YVNNLAQVSA-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 = 50475600   

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
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50475600 (CHEMBL381006) Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.62E+4	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 (Escherichia coli (strain K12))	BDBM50475600 (CHEMBL381006) Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.32E+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 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
MurB (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50475600 (CHEMBL381006) Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	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
MurC (Escherichia coli)	BDBM50475600 (CHEMBL381006) Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+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 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