BDBM50065769 CHEMBL100382::N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-phenyl-propionamide

SMILES: Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=PMFILAFCPCLAGX-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 = 50065769   

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))	BDBM50065769 (CHEMBL100382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C22H16ClN5O2/c23-15-9-10-17-16(13-15)21-26-20(18-7-4-12-30-18)27-28(21)22(24-17)25-19(29)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13H,8,11H2,(H,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	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 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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50065769 (CHEMBL100382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C22H16ClN5O2/c23-15-9-10-17-16(13-15)21-26-20(18-7-4-12-30-18)27-28(21)22(24-17)25-19(29)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13H,8,11H2,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	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 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))	BDBM50065769 (CHEMBL100382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C22H16ClN5O2/c23-15-9-10-17-16(13-15)21-26-20(18-7-4-12-30-18)27-28(21)22(24-17)25-19(29)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13H,8,11H2,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.2	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