BDBM50119169 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL99052

SMILES: Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1

InChI Key: InChIKey=OTOIUXZTJYMLMD-VGKBRBPRSA-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 = 50119169   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50119169 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1 Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50119169 ((2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1 Show InChI InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/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	PubMed	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig				Bioorg Med Chem Lett 12: 2935-9 (2002) BindingDB Entry DOI: 10.7270/Q2NK3DDV
					More data for this Ligand-Target Pair