BDBM50080394 (2R,3R,4S,5R)-2-[2-Chloro-6-((R)-1-methyl-2-phenoxy-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL326838

SMILES: C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=CRNZBMDVSSPQJI-DPHITLOKSA-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 = 50080394   

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 A1 (Rattus norvegicus (rat))	BDBM50080394 ((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-1-methyl-2-phenox...) Show SMILES C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H22ClN5O5/c1-10(8-29-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(7-26)30-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50080394 ((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-1-methyl-2-phenox...) Show SMILES C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H22ClN5O5/c1-10(8-29-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(7-26)30-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair