BDBM50152084 1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL188992::USRE47351, Compound 16
SMILES: CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChI Key: InChIKey=LZPZPHGJDAGEJZ-FBFHGVSZSA-N
Data: 3 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 receptor A3 (Homo sapiens (Human)) | BDBM50152084 (1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells | J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50152084 (1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc. Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells | J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (GUINEA PIG) | BDBM50152084 (1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH | Assay Description Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str... | J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q2K939V2 | |||||||||||
More data for this Ligand-Target Pair |