BDBM50030727 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid benzoylamide::CHEMBL279629::CHEMBL97539::L-159,913::L-159913
SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
InChI Key: InChIKey=JVOGASLNIGJLLS-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by PDSP Ki Database | J Pharmacol Exp Ther 272: 612-8 (1995) BindingDB Entry DOI: 10.7270/Q2FB51GP | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda Curated by ChEMBL | Assay Description Binding affinity to angiotensin AT1 receptor | Bioorg Med Chem 18: 8418-56 (2010) Article DOI: 10.1016/j.bmc.2010.10.043 BindingDB Entry DOI: 10.7270/Q2H70G3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by PDSP Ki Database | J Pharmacol Exp Ther 272: 612-8 (1995) BindingDB Entry DOI: 10.7270/Q2FB51GP | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat brain tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT1B (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat adrenal tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII | J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations. | J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at AT1 receptor in rabbit aorta membranes | Citation and Details Article DOI: 10.1007/s00044-013-0831-x BindingDB Entry DOI: 10.7270/Q2C82BRJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations. | J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid b... | J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibition of Angiotensin II receptor, type 1 | J Med Chem 39: 625-56 (1996) Article DOI: 10.1021/jm9504722 BindingDB Entry DOI: 10.7270/Q29P3299 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII | J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT1B (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat brain tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit brain tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat adrenal tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibitory activity at Angiotensin II type 2 receptor. | J Med Chem 39: 625-56 (1996) Article DOI: 10.1021/jm9504722 BindingDB Entry DOI: 10.7270/Q29P3299 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1 | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit adrenal tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit brain tissue preparation | Bioorg Med Chem Lett 4: 115-120 (1994) Article DOI: 10.1016/S0960-894X(01)81132-X BindingDB Entry DOI: 10.7270/Q2057FT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030727 (4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a... | J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5 | |||||||||||
More data for this Ligand-Target Pair |