BDBM50176055 9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::CHEMBL196258

SMILES: CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

InChI Key: InChIKey=PYUBHJHQYILWFE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50176055   

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))	BDBM50176055 (9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18)	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	3.30	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))	BDBM50176055 (9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50176055 (9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	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 A3 (Homo sapiens (Human))	BDBM50176055 (9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6...) Show SMILES CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C13H18N8/c1-3-4-5-6-9-17-11(14)10-12(18-9)20(2)13(19-10)21-15-7-8-16-21/h7-8H,3-6H2,1-2H3,(H2,14,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	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 A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA				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