BDBM50065777 5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentanoic acid benzyl ester::CHEMBL95229

SMILES: Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=ZCSYLQCKHIHALL-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 = 50065777   

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))	BDBM50065777 (5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C26H22ClN5O4/c27-18-12-13-20-19(15-18)25-30-24(21-9-6-14-35-21)31-32(25)26(28-20)29-22(33)10-4-5-11-23(34)36-16-17-7-2-1-3-8-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	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 A3 (Homo sapiens (Human))	BDBM50065777 (5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C26H22ClN5O4/c27-18-12-13-20-19(15-18)25-30-24(21-9-6-14-35-21)31-32(25)26(28-20)29-22(33)10-4-5-11-23(34)36-16-17-7-2-1-3-8-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,28,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.7	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 receptor A1 (Rattus norvegicus (rat))	BDBM50065777 (5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C26H22ClN5O4/c27-18-12-13-20-19(15-18)25-30-24(21-9-6-14-35-21)31-32(25)26(28-20)29-22(33)10-4-5-11-23(34)36-16-17-7-2-1-3-8-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	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