BDBM50309495 (2S,3S,4R,5R)-2-(4-ethyl-1H-1,2,3-triazol-1-yl)-5-(2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-6-(2-ethylbutylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL599566

SMILES: CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)nn1

InChI Key: InChIKey=XUFSLOHWIRUYOK-AWAHEQQVSA-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 = 50309495   

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 A2a (Homo sapiens (Human))	BDBM50309495 ((2S,3S,4R,5R)-2-(4-ethyl-1H-1,2,3-triazol-1-yl)-5-...) Show SMILES CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)nn1 |r| Show InChI InChI=1S/C27H41N11O2/c1-5-17(6-2)12-29-25-22-26(33-27(32-25)28-10-9-19-13-36(8-4)15-30-19)37(16-31-22)20-11-21(24(40)23(20)39)38-14-18(7-3)34-35-38/h13-17,20-21,23-24,39-40H,5-12H2,1-4H3,(H2,28,29,32,33)/t20-,21+,23+,24-/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	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair