BDBM50214976 (2R,3R,4S)-2-(2-chloro-6-(2-methoxybenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL387740

SMILES: COc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O

InChI Key: InChIKey=IXGMDIBYUXOUSR-CKUKBARFSA-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 = 50214976   

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))	BDBM50214976 ((2R,3R,4S)-2-(2-chloro-6-(2-methoxybenzylamino)-9H...) Show SMILES COc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H18ClN5O3S/c1-26-11-5-3-2-4-9(11)6-19-14-12-15(22-17(18)21-14)23(8-20-12)16-13(25)10(24)7-27-16/h2-5,8,10,13,16,24-25H,6-7H2,1H3,(H,19,21,22)/t10-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX
					More data for this Ligand-Target Pair