BDBM50086132 4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclohexylamino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL279870

SMILES: Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O

InChI Key: InChIKey=PXJDBNRVKHKYTH-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 = 50086132   

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)	BDBM50086132 (4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	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))	BDBM50086132 (4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44.2	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50086132 (4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...) Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	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 A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair