BindingDB BDBM25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378

BDBM25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key InChIKey=SQMWSBKSHWARHU-SDBHATRESA-N

Data 146 KI 20 IC50 12 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 25400

Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 5.90nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTPMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 5.90nMAssay Description:Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 5.90nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTPMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 5.90nMAssay Description:Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membraneMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 7.14nMAssay Description:Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPXMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Adenosine receptor A1(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 10nMAssay Description:Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Adenosine receptor A1(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 10nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Adenosine receptor A1(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 10nMAssay Description:Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 35nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 35nMAssay Description:Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membraneMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Adenosine receptor A3(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 120nMAssay Description:Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar

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Adenosine receptor A3(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 280nMAssay Description:Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cell membraneMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A3(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 281nMAssay Description:Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Adenosine receptor A3(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 281nMAssay Description:Displacement of [125I]-AB-MECA binding to human adenosine A3 receptor expressed in HEK 293 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Adenosine receptor A3(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 281nMAssay Description:Affinity towards Adenosine A3 receptor expressed in HEK 293 cells using [125I]AB-MECA radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Adenosine receptor A2a(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 580nMAssay Description:Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranesMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Adenosine receptor A2a(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 580nMAssay Description:Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranesMore data for this Ligand-Target Pair

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

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Adenosine receptor A2a(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 580nMAssay Description:Displacement of [3H]-CGS- 21980 from Adenosine A2A receptor of rat striatal membranes More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Adenosine receptor A2a(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 790nMAssay Description:Displacement of [3H]-ZM 241385 binding to human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Adenosine receptor A2a(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 1.65E+3nMAssay Description:Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair

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

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Adenosine receptor A2a(Homo sapiens (Human))
Leiden/Amsterdam Center For Drug Research

Curated by PDSP K_i Database

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

Ki: 1.70E+3nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membraneMore data for this Ligand-Target Pair

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

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Adenosine receptor A1(Rattus norvegicus (rat))
Leiden/Amsterdam Center For Drug Research

Curated by ChEMBL

PNG

BDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)

EC50: 14nMAssay Description:Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranesMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Filter my 178 hits

Targets 11▿
- Adenosine receptor A1 97
- Adenosine receptor A2a 29
- Adenosine receptor A3 28
- Adenosine receptor A2a/A2b 15
- Adenosine receptor A2b 3
- Equilibrative nucleoside transporter 1 1
- rRNA adenine N-6-methyltransferase 1
- Glyceraldehyde-3-phosphate dehydrogenase 1
- Genome polyprotein 1
- Phosphoglycerate kinase 1 1
- 23S rRNA methylase leader peptide 1
- ...
Publications 50▿
- Bioorg Med Chem 23: 6641-9 (2015) 10
- Bioorg Med Chem 16: 336-53 (2008) 9
- J Med Chem 43: 2196-203 (2000) 7
- J Med Chem 62: 1502-1522 (2019) 6
- J Med Chem 41: 102-8 (1998) 6
- J Med Chem 35: 2363-8 (1992) 5
- J Med Chem 45: 4471-84 (2002) 5
- Bioorg Med Chem Lett 30: (2020) 5
- Bioorg Med Chem 18: 2195-203 (2010) 5
- J Med Chem 48: 8103-7 (2005) 4
- J Med Chem 31: 1179-83 (1988) 4
- J Med Chem 51: 4449-55 (2008) 3
- J Med Chem 33: 2240-54 (1990) 3
- J Med Chem 43: 250-60 (2000) 3
- J Med Chem 37: 3614-21 (1994) 3
- J Med Chem 35: 2881-90 (1992) 3
- J Med Chem 45: 1196-202 (2002) 3
- J Med Chem 41: 1708-15 (1998) 3
- Bioorg Med Chem Lett 10: 2141-4 (2000) 3
- Bioorg Med Chem 16: 2741-52 (2008) 3
- J Med Chem 38: 4000-6 (1995) 3
- J Med Chem 42: 1393-400 (1999) 3
- J Med Chem 48: 2045-53 (2005) 3
- J Med Chem 43: 2814-23 (2000) 3
- Eur J Med Chem 186: (2020) 3
- J Med Chem 42: 3463-77 (1999) 2
- J Med Chem 35: 241-52 (1992) 2
- J Med Chem 44: 2966-75 (2001) 2
- J Med Chem 35: 924-30 (1992) 2
- J Med Chem 39: 1463-71 (1996) 2
- J Med Chem 32: 8-11 (1989) 2
- J Med Chem 31: 1282-5 (1988) 2
- Biochem Pharmacol 43: 1089-93 (1992) 2
- J Med Chem 33: 3127-30 (1991) 2
- J Pharmacol Exp Ther 280: 122-8 (1997) 2
- Naunyn Schmiedebergs Arch Pharmacol 357: 1-9 (1998) 2
- J Med Chem 55: 8075-90 (2012) 2
- Bioorg Med Chem 16: 1861-73 (2008) 2
- J Med Chem 28: 1383-4 (1985) 2
- Bioorg Med Chem Lett 3: 2661-2666 (1993) 2
- J Med Chem 34: 2570-9 (1991) 2
- Bioorg Med Chem Lett 1: 481-486 (1991) 2
- Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001) 2
- J Med Chem 31: 271-3 (1988) 2
- Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988) 2
- J Med Chem 31: 752-6 (1988) 2
- J Med Chem 34: 3388-90 (1992) 2
- J Med Chem 31: 745-51 (1988) 2
- J Med Chem 55: 6467-77 (2012) 1
- J Nat Prod 65: 1479-85 (2002) 1
- ...
Institutions 25▿
- Universit£ 30
- Leiden/Amsterdam Center For Drug Research 22
- North-West University 15
- National Institute Of Diabetes And Digestive And Kidney Diseases 11
- National Institute Of Diabetes 10
- University Of Bonn 9
- TBA 6
- Medical College of Wisconsin 6
- Warner-Lambert 6
- Hokkaido University 5
- Pfizer 5
- University Of Virginia School Of Medicine 4
- Leiden University 3
- University Of Amsterdam 3
- Novo Nordisk 2
- Kyowa Hakko Kogyo 2
- Merrell Dow Research Institute 2
- Monash University (Parkville Campus) 2
- University Of South Florida 2
- University of Illinois At Chicago 2
- UniversitÄT WÜRzburg 2
- National Institutes of Diabetes and Digestive and Kidney Diseases 2
- Ciba-Geigy 2
- Pharmakologisches Institut, Heidelberg 2
- University Of North Carolina At Chapel Hill 1
- ...
Affinity: 0.19 to 5.0E+6 nM▿
- Ki 146
- IC50 20
- EC50 12
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1