BDBM50215445 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carbonitrile::CHEMBL257600
SMILES: Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N
InChI Key: InChIKey=CFJFLGFKZVSNPA-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutamate racemase (Helicobacter pylori) | BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston Curated by ChEMBL | Assay Description Inhibition of Helicobacter pylori MurI | Bioorg Med Chem Lett 18: 4716-22 (2008) Article DOI: 10.1016/j.bmcl.2008.06.092 BindingDB Entry DOI: 10.7270/Q2N29WSP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate racemase (Helicobacter pylori J99) | BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Helicobacter pylori J99 glutamate racemase | Bioorg Med Chem Lett 22: 5600-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.004 BindingDB Entry DOI: 10.7270/Q2NZ88XM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate racemase (Helicobacter pylori) | BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Global Structural Chemistry Curated by ChEMBL | Assay Description Inhibition of Helicobacter pylori glutamate racemase | Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate racemase (Streptococcus pneumoniae) | BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Global Structural Chemistry Curated by ChEMBL | Assay Description Inhibition of MurI in Streptococcus pneumoniae | Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate racemase (Helicobacter pylori) | BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Global Structural Chemistry Curated by ChEMBL | Assay Description Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay | Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3 | |||||||||||
More data for this Ligand-Target Pair |