BDBM50176061 2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL195001

SMILES: CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1

InChI Key: InChIKey=QUIVSYGCFQQDKE-UHFFFAOYSA-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 = 50176061   

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))	BDBM50176061 (2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-puri...) Show SMILES CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)	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	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176061 (2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-puri...) Show SMILES CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair