BDBM50074978 2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL113169
SMILES: CN(C(=O)CNC(=O)NCCCCN)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
InChI Key: InChIKey=ISROIASQKHGIJZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
B2 bradykinin receptor (Cavia porcellus) | BDBM50074978 (2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel GmbH Curated by ChEMBL | Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI) | Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B2 bradykinin receptor (Cavia porcellus) | BDBM50074978 (2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel GmbH Curated by ChEMBL | Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI) | Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
B2 bradykinin receptor (Cavia porcellus) | BDBM50074978 (2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel GmbH Curated by ChEMBL | Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI) | Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C | |||||||||||
More data for this Ligand-Target Pair |