BDBM50008874 9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one::CHEMBL414023

SMILES: Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=XEVZWKHGVYHGAM-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50008874   

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 A3 (Homo sapiens (Human))	BDBM50008874 (9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	260	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 In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008874 (9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.95E+3	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 of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50008874 (9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.38E+3	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 of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008874 (9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50008874 (9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair