BDBM50224770 (2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol::CHEMBL251997
SMILES: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
InChI Key: InChIKey=MMPAUXMIDJWGFO-ROMFRFKVSA-N
Data: 12 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine A1 receptor (BOVINE) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. | J Med Chem 41: 1708-15 (1998) Article DOI: 10.1021/jm9707737 BindingDB Entry DOI: 10.7270/Q2ZW1MKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes | J Med Chem 48: 1550-62 (2005) Article DOI: 10.1021/jm049408n BindingDB Entry DOI: 10.7270/Q25X29PX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (GUINEA PIG) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes. | J Med Chem 41: 1708-15 (1998) Article DOI: 10.1021/jm9707737 BindingDB Entry DOI: 10.7270/Q2ZW1MKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from adenosine A1 receptor in bovine striatum membrane | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranes | J Med Chem 41: 1708-15 (1998) Article DOI: 10.1021/jm9707737 BindingDB Entry DOI: 10.7270/Q2ZW1MKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (GUINEA PIG) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50224770 ((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM | |||||||||||
More data for this Ligand-Target Pair |