BDBM50309476 (2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(1H-indazol-1-yl)tetrahydrofuran-3,4-diol::CHEMBL605778

SMILES: Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1ncc2ccccc12

InChI Key: InChIKey=UWBKGMMHEWTZJY-YFVPBJFGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309476   

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))	BDBM50309476 ((2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...) Show SMILES Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1ncc2ccccc12 |r| Show InChI InChI=1S/C26H28N8O3/c27-24-21-25(32-26(31-24)30-17(13-35)10-15-6-2-1-3-7-15)33(14-28-21)19-11-20(23(37)22(19)36)34-18-9-5-4-8-16(18)12-29-34/h1-9,12,14,17,19-20,22-23,35-37H,10-11,13H2,(H3,27,30,31,32)/t17-,19+,20-,22-,23+/m0/s1	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	5.41E+3	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
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