BDBM50309482 CHEMBL592540::N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-6-(pentan-3-ylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)propionamide
SMILES: CCC(CC)Nc1nc(NCCc2cn(cn2)C(C)C)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O
InChI Key: InChIKey=UFOFIXPTTUABPS-CSGUBPAMSA-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 receptor A2a (Homo sapiens (Human)) | BDBM50309482 (CHEMBL592540 | N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2...) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2 | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50309482 (CHEMBL592540 | N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assay | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50309482 (CHEMBL592540 | N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.52E+3 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50309482 (CHEMBL592540 | N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2...) | 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 | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine... | Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC | |||||||||||
More data for this Ligand-Target Pair |