BDBM50117227 5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122667

SMILES: CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1

InChI Key: InChIKey=YGQXYWAAJBCJOW-UHFFFAOYSA-N

Data: 2 IC50

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 = 50117227   

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))	BDBM50117227 (5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117227 (5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...) Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Nutrition Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 45: 3703-8 (2002) BindingDB Entry DOI: 10.7270/Q2154GCW
					More data for this Ligand-Target Pair