BindingDB

null

SMILES CC(C)NCC(O)c1ccc(O)c(O)c1

InChI Key InChIKey=JWZZKOKVBUJMES-UHFFFAOYSA-N

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25392

Beta-1 adrenergic receptor(Rattus norvegicus (Rat))
Universit£ di Pisa

Curated by ChEMBL

BDBM25392(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)copy SMILEScopy InChI

Ki: 80nMAssay Description:Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brainMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2J38T5TPubMed

Beta-2 adrenergic receptor(BOVINE)
Universit£ di Pisa

Curated by ChEMBL

BDBM25392(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)copy SMILEScopy InChI

Ki: 110nMAssay Description:Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lungMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2J38T5TPubMed

Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor(RAT)
Universit£ di Pisa

Curated by ChEMBL

BDBM25392(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)copy SMILEScopy InChI

Ki: 2.10E+4nMAssay Description:Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brainMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2J38T5TPubMed

Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Universit£ di Pisa

Curated by ChEMBL

BDBM25392(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)copy SMILEScopy InChI

Ki: 3.55E+4nMAssay Description:Compound was evaluated for alpha adrenergic binding affinity towards alpha-1 receptor of rat brainMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2J38T5TPubMed

Targets 17 ▿
- Beta-2 adrenergic receptor 65
- Beta-1 adrenergic receptor 33
- Beta-3 adrenergic receptor 28
- Beta-1/Beta-2/Beta-3 adrenergic receptor 4
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 3
- Bile salt export pump 3
- Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor 2
- D(2) dopamine receptor 2
- 5-hydroxytryptamine receptor 7 2
- Alpha-2A adrenergic receptor 2
- Alpha-1B adrenergic receptor 1
- D(4) dopamine receptor 1
- D(3) dopamine receptor 1
- Alpha-1A adrenergic receptor 1
- Beta-adrenergic receptor kinase 1 1
- D(1A) dopamine receptor 1
- Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor 1
- ...
Publications 50 ▿
- Bioorg Med Chem 24: 2641-53 (2016) 9
- Bioorg Med Chem 17: 5510-9 (2009) 6
- J Med Chem 35: 3081-4 (1992) 5
- J Med Chem 36: 3077-86 (1993) 4
- J Med Chem 59: 5780-9 (2016) 4
- J Nat Prod 82: 2986-2993 (2019) 4
- J Med Chem 34: 1063-8 (1991) 4
- J Med Chem 35: 1009-18 (1992) 4
- J Pharmacol Exp Ther 270: 665-74 (1994) 4
- J Med Chem 52: 2280-8 (2009) 3
- Bioorg Med Chem 20: 933-41 (2012) 3
- J Med Chem 53: 4522-30 (2010) 3
- Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) 3
- Eur J Med Chem 44: 2533-43 (2009) 3
- J Med Chem 51: 4804-22 (2008) 3
- J Med Chem 45: 567-83 (2002) 3
- J Med Chem 46: 105-12 (2002) 3
- Bioorg Med Chem Lett 15: 251-4 (2004) 3
- Bioorg Med Chem 19: 6026-32 (2011) 3
- Bioorg Med Chem 22: 234-46 (2014) 3
- Eur J Med Chem 152: 424-435 (2018) 3
- J Med Chem 60: 3252-3265 (2017) 3
- Bioorg Med Chem 19: 4192-201 (2011) 3
- Bioorg Med Chem 17: 3283-94 (2009) 3
- J Med Chem 25: 680-4 (1982) 3
- J Med Chem 42: 2287-94 (1999) 3
- J Med Chem 52: 3063-72 (2009) 3
- J Med Chem 51: 4002-20 (2008) 3
- J Med Chem 49: 2758-71 (2006) 3
- Bioorg Med Chem 16: 2473-88 (2008) 2
- J Med Chem 44: 1436-45 (2001) 2
- Bioorg Med Chem Lett 24: 249-53 (2013) 2
- Bioorg Med Chem Lett 25: 820-5 (2015) 2
- Mol Pharmacol 12: 568-80 (1976) 2
- Bioorg Med Chem 27: 2306-2314 (2019) 2
- J Med Chem 51: 1925-44 (2008) 2
- Life Sci 19: 69-76 (1976) 2
- J Med Chem 28: 1328-34 (1985) 2
- Drug Metab Dispos 40: 130-8 (2011) 2
- Bioorg Med Chem Lett 18: 5037-40 (2008) 2
- Bioorg Med Chem 28: (2020) 2
- Bioorg Med Chem Lett 19: 4679-83 (2009) 2
- Biochem Pharmacol 55: 1035-43 (1998) 1
- Biochem Biophys Res Commun 195: 902-9 (1993) 1
- J Pharmacol Exp Ther 294: 539-47 (2000) 1
- J Pharmacol Exp Ther 315: 839-48 (2005) 1
- J Biol Chem 264: 13572-8 (1989) 1
- J Nat Prod 81: 768-777 (2018) 1
- Eur J Med Chem 44: 2840-6 (2009) 1
- Bioorg Med Chem Lett 21: 4027-31 (2011) 1
- ...
Institutions 29 ▿
- [Astellas Pharma Inc.] 19
- [GlaxoSmithKline Medicines Research Centre] 12
- [TBA, Friedrich-Alexander University] 9
- [TBA, Friedrich-Alexander University] 9
- [Universit£ di Pisa, Astellas Pharma Inc] 8
- [Universit£ di Pisa, Astellas Pharma Inc] 8
- [Shenyang Pharmaceutical University] 7
- [GlaxoSmithKline, Instituto Polit£cnico Nacional] 6
- [GlaxoSmithKline, Instituto Polit£cnico Nacional] 6
- [American Cyanamid Company, Kissei Pharmaceutical Company Ltd.] 5
- [American Cyanamid Company, Kissei Pharmaceutical Company Ltd.] 5
- [Shandong University , National Institute of Diabetes, Ohio State University, Novartis Institutes for BioMedical Research ] 4
- [Shandong University , National Institute of Diabetes, Ohio State University, Novartis Institutes for BioMedical Research ] 4
- [Shandong University , National Institute of Diabetes, Ohio State University, Novartis Institutes for BioMedical Research ] 4
- [Shandong University , National Institute of Diabetes, Ohio State University, Novartis Institutes for BioMedical Research ] 4
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [University of Tennessee, Universität Würzburg, Fujisawa Pharmaceutical Co. Ltd, AstraZeneca, Asahi Kasei Pharma Corporation, Medical University of Lublin] 3
- [Sun Yat-sen University, Universit£ di Bari] 2
- [Sun Yat-sen University, Universit£ di Bari] 2
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- [University of Michigan, National Children's Medical Research Center, Tokyo, Roche Bioscience, Merck, Sharp, and Dohme Research Laboratories, Institute of Cell Signaling, Shandong University] 1
- ...
Affinity: 0.055 to 1.0E+6 nM▿
- Ki 39
- IC50 12
- Kd 11
- EC50 89
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1