BDBM50157513 3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester::CHEMBL221998
SMILES: COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N
InChI Key: InChIKey=ALKZGOAMUXQFJR-CQSZACIVSA-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 B1 receptor (Homo sapiens (Human)) | BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells | J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Oryctolagus cuniculus) | BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to rabbit bradykinin B1 receptor | J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BDKRB1 (RAT) | BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells | J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Oryctolagus cuniculus) | BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activity at rabbit bradykinin B1 receptor assessed by FLIPR assay | J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu... | J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM | |||||||||||
More data for this Ligand-Target Pair |