BDBM50149103 5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL124897

SMILES: CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1

InChI Key: InChIKey=RJBNBAZSSSSPMS-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 = 50149103   

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))	BDBM50149103 (5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triaz...) Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-11-8-14(21)12-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149103 (5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triaz...) Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-11-8-14(21)12-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
					More data for this Ligand-Target Pair