BDBM50030687 CHEMBL339256::N-(3-{3-Butyl-4-[2'-(2-chloro-benzoylsulfamoyl)-3-fluoro-biphenyl-4-ylmethyl]-5-oxo-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(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
InChI Key: InChIKey=YLFAFCSDNLBEIN-UHFFFAOYSA-N
Data: 9 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) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.150 | 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 receptor (Homo sapiens (Human)) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | 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 | 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 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)) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.30 | 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. For this assay, only 0.02%BSA was presen... | 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) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.130 | 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) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.130 | 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) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.310 | 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 receptor (Homo sapiens (Human)) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.5 | 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) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.130 | 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 receptor (Homo sapiens (Human)) | BDBM50030687 (CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...) | 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 | 0.25 | 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. For this assay, only 0.02%BSA was presen... | J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35 | |||||||||||
More data for this Ligand-Target Pair |