BDBM50015780 CHEMBL7033::Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine::cid_654516

SMILES: CCN(CC)c1nc2ccccc2n2cnnc12

InChI Key: InChIKey=KTRZFDUOUIVFLG-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50015780   

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))	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine in rat whole brain membranes.				J Med Chem 31: 1011-4 (1988) BindingDB Entry DOI: 10.7270/Q2XW4HTF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against Adenosine-2 receptor with [3H]-NECA in rat striatal membranes.				J Med Chem 31: 1011-4 (1988) BindingDB Entry DOI: 10.7270/Q2XW4HTF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20E+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
Phosphodiesterase 1 (Rattus norvegicus)	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+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
diphosphomevalonate decarboxylase (Streptococcus pneumoniae D39)	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N014XN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50015780 (CHEMBL7033 | Diethyl-[1,2,4]triazolo[4,3-a]quinoxa...) Show SMILES CCN(CC)c1nc2ccccc2n2cnnc12 Show InChI InChI=1S/C13H15N5/c1-3-17(4-2)12-13-16-14-9-18(13)11-8-6-5-7-10(11)15-12/h5-9H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+4	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