Found 8 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50042235' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 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 | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid UniChem
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Similars
| 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 | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 1.10 | 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 | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE KEGG PC cid PC sid UniChem
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| Article
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]- Ang II from type 1 Angiotensin II receptor |
Bioorg Med Chem Lett 4: 1527-1530 (1994)
Article DOI: 10.1016/S0960-894X(01)80526-6 BindingDB Entry DOI: 10.7270/Q22V2G29 |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE KEGG PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human AT1 overexpressed in CHO-K1 cells in presence of 10 nM [Val5-angiotensin II measured after 90 mins by HTRF based IP-one ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00240 BindingDB Entry DOI: 10.7270/Q2FJ2MMF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
![PNG](/data/jpeg/tenK5004/BindingDB_50042235.png) (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE KEGG PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 20.8 | 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 | |