BDBM50074997 (E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-2-methylsulfanyl-phenyl]-methyl-carbamoyl}-methyl)-acrylamide::CHEMBL115163
SMILES: COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(NC(C)=O)nc2)c(SC)c1COc1cccc2ccc(C)nc12
InChI Key: InChIKey=LQLXUORFZSRSRP-LFIBNONCSA-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) | BDBM50074997 ((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.600 | 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 | |||||||||||||
Bradykinin B2 receptor (Cavia porcellus) | BDBM50074997 ((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20 | 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) | BDBM50074997 ((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-...) | 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 | 59 | 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 |