BDBM50015773 (8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine::CHEMBL311616

SMILES: CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F

InChI Key: InChIKey=SPIXJGUPZUGTCJ-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 = 50015773   

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))	BDBM50015773 ((8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]...) Show SMILES CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F Show InChI InChI=1S/C13H11ClF3N5/c1-6(2)18-10-11-20-21-12(13(15,16)17)22(11)9-5-7(14)3-4-8(9)19-10/h3-6H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50015773 ((8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]...) Show SMILES CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F Show InChI InChI=1S/C13H11ClF3N5/c1-6(2)18-10-11-20-21-12(13(15,16)17)22(11)9-5-7(14)3-4-8(9)19-10/h3-6H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	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
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50015773 ((8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]...) Show SMILES CC(C)Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F Show InChI InChI=1S/C13H11ClF3N5/c1-6(2)18-10-11-20-21-12(13(15,16)17)22(11)9-5-7(14)3-4-8(9)19-10/h3-6H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]-CHA				J Med Chem 33: 2240-54 (1990) BindingDB Entry DOI: 10.7270/Q2PR7WKF
					More data for this Ligand-Target Pair