BDBM50119141 (2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL99983

SMILES: Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1

InChI Key: InChIKey=BWUDUNHQQNVAHC-KHTYJDQRSA-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 = 50119141   

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))	BDBM50119141 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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))	BDBM50119141 ((2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/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	880	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