BDBM50149115 5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340093

SMILES: CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1

InChI Key: InChIKey=ZVVHMFIRNDDYIF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50149115   

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))	BDBM50149115 (5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...) Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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]-DPCPX binding at human adenosine A2B 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 A2a (Homo sapiens (Human))	BDBM50149115 (5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...) Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3	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 A1 (Homo sapiens (Human))	BDBM50149115 (5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...) Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]-DPCPX binding at human adenosine A1 receptor expressed in CHO 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))	BDBM50149115 (5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...) Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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