BDBM50214977 (2R,3R,4S)-2-(2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL437923

SMILES: COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O

InChI Key: InChIKey=LJLMHEFJMXWPHX-CKUKBARFSA-N

Data: 2 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 2 hits for monomerid = 50214977   

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))	BDBM50214977 ((2R,3R,4S)-2-(2-chloro-6-(5-chloro-2-methoxybenzyl...) Show SMILES COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H17Cl2N5O3S/c1-27-11-3-2-9(18)4-8(11)5-20-14-12-15(23-17(19)22-14)24(7-21-12)16-13(26)10(25)6-28-16/h2-4,7,10,13,16,25-26H,5-6H2,1H3,(H,20,22,23)/t10-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.7	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50214977 ((2R,3R,4S)-2-(2-chloro-6-(5-chloro-2-methoxybenzyl...) Show SMILES COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H17Cl2N5O3S/c1-27-11-3-2-9(18)4-8(11)5-20-14-12-15(23-17(19)22-14)24(7-21-12)16-13(26)10(25)6-28-16/h2-4,7,10,13,16,25-26H,5-6H2,1H3,(H,20,22,23)/t10-,13-,16-/m1/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	4.02E+3	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 [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 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