BDBM50224760 2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylcarbamoyl-beta-D-ribofuranosyl)adenine::CHEMBL254064
SMILES: CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
InChI Key: InChIKey=IQPCHXGNQWZETD-UOYMAUKRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine A1 receptor (GUINEA PIG) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 72 | 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 A1 receptor (BOVINE) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 156 | 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 receptor A1 (Homo sapiens (Human)) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.12E+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]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 receptor A2b (Homo sapiens (Human)) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.35E+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 receptor A2a (Homo sapiens (Human)) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.04E+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 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 receptor A3 (Homo sapiens (Human)) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | 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 | |||||||||||||
Adenosine A1 receptor (GUINEA PIG) | BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 165 | n/a | n/a | n/a | n/a |
Universit£ di Camerino Curated by ChEMBL | Assay Description Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding | 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 |