BDBM50067305 (E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide; hydrochloride::CHEMBL552543
SMILES: CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
InChI Key: InChIKey=FIEQAXDVHHHMAH-XMHGGMMESA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BDKRB2 (Homo sapiens (Human)) | BDBM50067305 ((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%. | J Med Chem 41: 4062-79 (1998) Article DOI: 10.1021/jm980300f BindingDB Entry DOI: 10.7270/Q2RX9CS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B2 receptor (Cavia porcellus) | BDBM50067305 ((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%. | J Med Chem 41: 4062-79 (1998) Article DOI: 10.1021/jm980300f BindingDB Entry DOI: 10.7270/Q2RX9CS1 | |||||||||||
More data for this Ligand-Target Pair |