BDBM50030719 4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-4-yl]methyl]-5-n-butyl-2,4-dihydro-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4-trizol-3-one::CHEMBL276674::N-{3-[3-Butyl-5-oxo-4-(2'-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-propionamide::N-{3-[3-Butyl-5-oxo-4-(2'-(tert-butyloxycarbonyl)sulfamoyl-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-propionamide
SMILES: CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
InChI Key: InChIKey=HQYHXZJKRHOYFK-UHFFFAOYSA-N
Data: 12 IC50
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) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.10 | 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 type 2 receptor in rat adrenal 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) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.290 | 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 | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.290 | 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 receptor (Homo sapiens (Human)) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.80 | 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 human adrenal membrane preparations. | J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 18 | 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 human adrenal 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) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor | Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1 | 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) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta | Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2 receptor from rat midbrain | Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.290 | 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 type 1a (AT-1a) receptor (RABBIT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor | Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50030719 (4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1 | 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 |