BindingDB BDBM50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo

BDBM50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key InChIKey=XSMYYYQVWPZWIZ-UHFFFAOYSA-N

Data 68 KI 3 IC50 13 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50085658

Adenosine receptor A1(Rat)
Niddk

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 1.70nMAssay Description:Agonist activity at rat A1A adenosine receptor expressed in CHO-K1 cell membranes incubated for 60 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

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Date in BDB:
2/22/2021
Entry Details Article
PubMed

Adenosine receptor A1(Human)
University of Warwick

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 4.60nMAssay Description:Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by l...More data for this Ligand-Target Pair

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Date in BDB:
5/17/2013
Entry Details Article
PubMed

Adenosine receptor A1(Rat)
Niddk

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 8.20nMAssay Description:Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atriaMore data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
10/27/2012
Entry Details Article
PubMed

Adenosine receptor A1(Rat)
Niddk

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 8.20nMAssay Description:Activity at Adenosine A1 receptor of rat atriaMore data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
10/30/2012
Entry Details Article
PubMed

Adenosine receptor A2a(Rat)
University of Camerino

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: >10nMAssay Description:Functional activity against adenosine A2a receptor from rat aorta.More data for this Ligand-Target Pair

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Date in BDB:
10/31/2012
Entry Details Article
PubMed

Adenosine receptor A1(Human)
University of Warwick

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 14nMAssay Description:Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins ...More data for this Ligand-Target Pair

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Date in BDB:
5/17/2013
Entry Details Article
PubMed

Adenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 18nMAssay Description:Agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production pre...More data for this Ligand-Target Pair

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Date in BDB:
4/13/2014
Entry Details Article
PubMed

Adenosine receptor A1(Rat)
Niddk

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 30nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activationMore data for this Ligand-Target Pair

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Date in BDB:
11/24/2012
Entry Details Article
PubMed

Adenosine receptor A1(Human)
University of Warwick

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 200nMAssay Description:Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase r...More data for this Ligand-Target Pair

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Date in BDB:
6/24/2017
Entry Details Article
PubMed

Adenosine receptor A1(Rat)
Niddk

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 8.20E+3nMAssay Description:Functional activity against adenosine A1 receptor from rat atria.More data for this Ligand-Target Pair

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Date in BDB:
10/31/2012
Entry Details Article
PubMed

Adenosine receptor A2a(Human)
Glaxowellcome Medicines Research Centre

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 1.00E+4nMAssay Description:Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r...More data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
6/24/2017
Entry Details Article
PubMed

Adenosine receptor A2a(Rat)
University of Camerino

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: >1.00E+4nMAssay Description:Functional activity at Adenosine A2A receptor as vasorelaxation of rat aortaMore data for this Ligand-Target Pair

PDB KEGG
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Date in BDB:
10/30/2012
Entry Details Article
PubMed

Adenosine receptor A2b(Human)
University of Camerino

Curated by ChEMBL

BDBM50085658(2-Cl-CPA | CHEMBL284969 | 2-chloro-N6-cyclopentyla...)

EC50: 7.24E+4nMAssay Description:Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase r...More data for this Ligand-Target Pair

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Date in BDB:
6/24/2017
Entry Details Article
PubMed

Filter my 84 hits

Targets 5▿
- Adenosine receptor A1 39
- Adenosine receptor A3 20
- Adenosine receptor A2a 19
- Adenosine receptor A2b 4
- Adenosine receptor A2a/A2b 2
Publications 30▿
- Bioorg Med Chem 16: 336-53 (2008) 8
- J Med Chem 62: 1502-1522 (2019) 7
- J Med Chem 45: 4471-84 (2002) 6
- J Med Chem 59: 947-64 (2016) 5
- J Med Chem 46: 1492-503 (2003) 4
- J Med Chem 48: 8103-7 (2005) 4
- J Med Chem 38: 3581-5 (1995) 4
- J Med Chem 38: 1462-72 (1995) 4
- J Med Chem 43: 2196-203 (2000) 4
- J Med Chem 43: 250-60 (2000) 3
- J Med Chem 37: 3614-21 (1994) 3
- Bioorg Med Chem Lett 14: 1495-8 (2004) 3
- Eur J Med Chem 201: (2020) 3
- J Med Chem 41: 1708-15 (1998) 3
- J Med Chem 55: 6467-77 (2012) 2
- Bioorg Med Chem Lett 10: 403-6 (2000) 2
- J Med Chem 44: 2966-75 (2001) 2
- Biochem Pharmacol 43: 1089-93 (1992) 2
- J Med Chem 37: 1720-6 (1994) 2
- Bioorg Med Chem Lett 3: 2661-2666 (1993) 2
- J Med Chem 34: 3388-90 (1992) 2
- J Med Chem 51: 5875-9 (2008) 1
- Mol Pharmacol 56: 705-13 (1999) 1
- J Med Chem 59: 810-40 (2016) 1
- US Patent US8470800 (2013) 1
- J Med Chem 55: 7719-35 (2012) 1
- J Med Chem 57: 7673-86 (2014) 1
- J Med Chem 55: 8075-90 (2012) 1
- J Med Chem 56: 5949-63 (2014) 1
- J Med Chem 35: 407-22 (1992) 1
Institutions 20▿
- University of Camerino 20
- National Institute of Diabetes and Digestive and Kidney Diseases 12
- National Institute of Diabetes 7
- Medical College of Wisconsin 7
- University of Warwick 5
- Leiden University 4
- University of Milan 4
- Inotek Pharmaceuticals 4
- Universita Degli Studi Di Firenze 3
- TBA 2
- University of South Florida 2
- University of Ferrara 2
- National Institutes of Diabetes and Digestive and Kidney Diseases 2
- University of North Carolina at Chapel Hill 2
- Leiden/Amsterdam Center For Drug Research 2
- Glaxowellcome Medicines Research Centre 2
- University of Virginia 1
- University of Minnesota 1
- Dipartimento Di Scienze Farmaceutiche 1
- Niddk 1
Affinity: 0.21 to 7.2E+4 nM▿
- Ki 68
- IC50 3
- EC50 13
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1