BDBM50015752 (8-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine::CHEMBL72177

SMILES: CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12

InChI Key: InChIKey=JORCMIACBHYGGJ-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 = 50015752   

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))	BDBM50015752 ((8-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12 Show InChI InChI=1S/C14H16ClN5/c1-4-12-18-19-14-13(16-8(2)3)17-10-6-5-9(15)7-11(10)20(12)14/h5-8H,4H2,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	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)	BDBM50015752 ((8-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12 Show InChI InChI=1S/C14H16ClN5/c1-4-12-18-19-14-13(16-8(2)3)17-10-6-5-9(15)7-11(10)20(12)14/h5-8H,4H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	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))	BDBM50015752 ((8-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12 Show InChI InChI=1S/C14H16ClN5/c1-4-12-18-19-14-13(16-8(2)3)17-10-6-5-9(15)7-11(10)20(12)14/h5-8H,4H2,1-3H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+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