BDBM50074986 (E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-(4-trifluoromethyl-phenyl)-acrylamide::CHEMBL325255::N-(2-((4-chloro-2-cyano-3-((2-methylquinolin-8-yloxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)-3-(4-(trifluoromethyl)phenyl)acrylamide
SMILES: CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
InChI Key: InChIKey=HRMANULVIPULPC-OQLLNIDSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bradykinin B2 receptor (Cavia porcellus) | BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.300 | 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 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 | |||||||||||||
Bradykinin B2 receptor (Cavia porcellus) | BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) | 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 | 56 | 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 | |||||||||||||
Bradykinin B2 receptor (Cavia porcellus) | BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20 | 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 | |||||||||||||
Bradykinin B2 receptor (Cavia porcellus) | BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG Curated by ChEMBL | Assay Description Displacement of [3H]bradykinin from guinea pig B2 receptor | J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT | |||||||||||
More data for this Ligand-Target Pair |