BDBM50015770 CHEMBL306351::Cyclohexyl-(8-fluoro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine

SMILES: Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F

InChI Key: InChIKey=YCGCMMCDZGLLDG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50015770   

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 A1 (Rattus norvegicus (rat))	BDBM50015770 (CHEMBL306351 | Cyclohexyl-(8-fluoro-1-trifluoromet...) Show SMILES Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F Show InChI InChI=1S/C16H15F4N5/c17-9-6-7-11-12(8-9)25-14(23-24-15(25)16(18,19)20)13(22-11)21-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.				J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50015770 (CHEMBL306351 | Cyclohexyl-(8-fluoro-1-trifluoromet...) Show SMILES Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F Show InChI InChI=1S/C16H15F4N5/c17-9-6-7-11-12(8-9)25-14(23-24-15(25)16(18,19)20)13(22-11)21-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Evaluated for Ca++ dependent phosphodiesterase activity.				J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50015770 (CHEMBL306351 | Cyclohexyl-(8-fluoro-1-trifluoromet...) Show SMILES Fc1ccc2nc(NC3CCCCC3)c3nnc(n3c2c1)C(F)(F)F Show InChI InChI=1S/C16H15F4N5/c17-9-6-7-11-12(8-9)25-14(23-24-15(25)16(18,19)20)13(22-11)21-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.				J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF
					More data for this Ligand-Target Pair