BDBM50202412 3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester::CHEMBL232943::methyl 3-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1'-biphenyl-2-carboxylate
SMILES: COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
InChI Key: InChIKey=WZZIQHIQMWJNLU-LLVKDONJSA-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 |
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Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation Curated by ChEMBL | Assay Description Inhibition of human bradykinin B1 receptor | Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.440 | 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 expressed in CHO cells | J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Curated by ChEMBL | Assay Description Binding affinity to human BK1 receptor | Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | 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 rhesus monkey bradykinin B1 receptor | J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Oryctolagus cuniculus) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.30 | 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 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BDKRB1 (RAT) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation Curated by ChEMBL | Assay Description Antagonist activity at rat bradykinin B1 receptor | Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BDKRB1 (RAT) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.65E+3 | 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 rat bradykinin B1 receptor | J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.52 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activity at human bradykinin B1 receptor assessed as inhibition of Des-arg kallidin-induced increase of cytosolic calcium in CHO cells by FLIPR | J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ | |||||||||||
More data for this Ligand-Target Pair |