BDBM50086157 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclopentylamino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL16774

SMILES: Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O

InChI Key: InChIKey=VPJSDBCWKVHQQA-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 = 50086157   

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 A1 receptor (BOVINE)	BDBM50086157 (4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086157 (4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086157 (4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair