BDBM50049186 (S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid::(S)-3-Methyl-2-{pentanoyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid::2-{[2'-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid::3-Methyl-2-{((S)-pentanoyl)-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid::3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid::CGP-48933::CHEMBL1069::Diovan::Exforge::Prexxartan::VALSARTAN
SMILES: CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
InChI Key: InChIKey=ACWBQPMHZXGDFX-QFIPXVFZSA-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 receptor (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bahcesehir University (BAU) Curated by ChEMBL | Assay Description Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys... | Eur J Med Chem 145: 273-290 (2018) Article DOI: 10.1016/j.ejmech.2017.12.021 BindingDB Entry DOI: 10.7270/Q2639S81 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt Curated by ChEMBL | Assay Description Inhibition constant against Angiotensin II receptor, type 1 was determined | J Med Chem 46: 2261-70 (2003) Article DOI: 10.1021/jm0204237 BindingDB Entry DOI: 10.7270/Q2154HSP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma US Inc. Curated by ChEMBL | Assay Description Displacement of Europium-labeled angiotensin-2 from human AT2 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA | ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AGTR1 (RAT) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane | J Med Chem 51: 2137-46 (2008) Article DOI: 10.1021/jm7011563 BindingDB Entry DOI: 10.7270/Q20P10X0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA) | Bioorg Med Chem Lett 4: 29-34 (1994) Article DOI: 10.1016/S0960-894X(01)81117-3 BindingDB Entry DOI: 10.7270/Q25Q4W14 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT1B (RAT) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Siena Curated by ChEMBL | Assay Description Binding affinity for rat angiotensin II receptor, type 1 | J Med Chem 47: 2574-86 (2004) Article DOI: 10.1021/jm031100t BindingDB Entry DOI: 10.7270/Q25X28DX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |