BDBM50176051 9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL198942

SMILES: CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

InChI Key: InChIKey=RAVBBDYGFXMBKB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50176051   

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 A2b (Homo sapiens (Human))	BDBM50176051 (9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 A2b receptor expressed in HEK293 cells using 5 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176051 (9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)	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	84	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))	BDBM50176051 (9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	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