BDBM50308508 CHEMBL589549::N-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine

SMILES: Cn1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12

InChI Key: InChIKey=MTQYIGCUBBMQCJ-AEJSXWLSSA-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 = 50308508   

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 A2a receptor (GUINEA PIG)	BDBM50308508 (CHEMBL589549 | N-((1R,2S,4S)-bicyclo[2.2.1]heptan-...) Show SMILES Cn1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12 |r| Show InChI InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to guinea pig adenosine A2A receptor				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair