BDBM50117910 4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2''-(3,3-dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2'-(3,3-dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::BMS-248360::CHEMBL11706
SMILES: CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChI Key: InChIKey=NBDFXMDYBLSGLX-UHFFFAOYSA-N
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity at endothelin receptor subtype A | Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor | J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90 | 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 | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1 | Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT1B (RAT) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1 | J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (AT-1) type-1 (RAT) | BDBM50117910 (4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II | Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50117910 (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 | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity at type 1 angiotensin 2 receptor | Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50117910 (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 | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1 | J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50117910 (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 | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | 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 |