BDBM50223575 CHEMBL318448

SMILES: COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1

InChI Key: InChIKey=SITXHAVZQRLLMP-VURMDHGXSA-N

Data: 2 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 2 hits for monomerid = 50223575   

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
DNA Gyrase (Escherichia coli (strain K12))	BDBM50223575 (CHEMBL318448) Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli DNA gyrase				Bioorg Med Chem Lett 14: 2857-62 (2004) BindingDB Entry DOI: 10.7270/Q2HH6N85
					More data for this Ligand-Target Pair
DNA Gyrase (Escherichia coli (strain K12))	BDBM50223575 (CHEMBL318448) Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli DNA gyrase				Bioorg Med Chem Lett 14: 2857-62 (2004) BindingDB Entry DOI: 10.7270/Q2HH6N85
					More data for this Ligand-Target Pair