BDBM50004571 8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine::CHEMBL303198::CP-66713

SMILES: Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1

InChI Key: InChIKey=PBENJWAFQLORQL-UHFFFAOYSA-N

Data: 7 KI  2 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 9 hits for monomerid = 50004571   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane.				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand				J Med Chem 35: 407-22 (1992) BindingDB Entry DOI: 10.7270/Q2Z89D1W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the displacement [3H]-PIA from Adenosine A1 receptor in rat brain membrane				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004571 (8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...) Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1 Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	270	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