BDBM24609 3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea::Benzimidazole urea analogue, 13
SMILES: CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1
InChI Key: InChIKey=IXXRRXMYIMRHHE-UHFFFAOYSA-N
Data: 3 KI
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)) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | <4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Staphylococcus aureus) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | -11.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Topoisomerase IV (Escherichia coli (strain K12)) | BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair |