BDBM50152085 2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-propylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL187300

SMILES: CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1

InChI Key: InChIKey=OHYDAZXXQMGWMS-ICMYFROTSA-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 = 50152085   

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))	BDBM50152085 (2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-propylamino-puri...) Show SMILES CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H27N7O4/c1-2-8-24-21-17-22(30(13-25-17)23-19(33)18(32)16(12-31)34-23)28-20(27-21)15-9-26-29(11-15)10-14-6-4-3-5-7-14/h3-7,9,11,13,16,18-19,23,31-33H,2,8,10,12H2,1H3,(H,24,27,28)/t16-,18-,19-,23?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	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
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