BDBM50065772 7-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-heptanoic acid methyl ester::CHEMBL97484

SMILES: COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=PQQVRUGQLFKBFD-UHFFFAOYSA-N

Data: 3 KI

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 = 50065772   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50065772 (7-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN5O4/c1-31-19(30)9-5-3-2-4-8-18(29)25-22-24-16-11-10-14(23)13-15(16)21-26-20(27-28(21)22)17-7-6-12-32-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.43	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 Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50065772 (7-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN5O4/c1-31-19(30)9-5-3-2-4-8-18(29)25-22-24-16-11-10-14(23)13-15(16)21-26-20(27-28(21)22)17-7-6-12-32-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.6	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 Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50065772 (7-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN5O4/c1-31-19(30)9-5-3-2-4-8-18(29)25-22-24-16-11-10-14(23)13-15(16)21-26-20(27-28(21)22)17-7-6-12-32-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	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 Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
					More data for this Ligand-Target Pair