BDBM50175523 4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2''-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide::4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2'-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide::CHEMBL539423
SMILES: CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
InChI Key: InChIKey=WRFHGDPIDHPWIQ-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50175523 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against angiotensin II receptor, type 1 | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50175523 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Heart and Lung Institute Curated by ChEMBL | Assay Description Binding affinity to AT1 receptor | J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50175523 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Heart and Lung Institute Curated by ChEMBL | Assay Description Binding affinity to ETA receptor | J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50175523 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against endothelin receptor type A | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair |