BDBM50065768 CHEMBL330377::N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-(2-iodo-phenyl)-acetamide

SMILES: Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=VTAAMYSGOSWUCZ-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 = 50065768   

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))	BDBM50065768 (CHEMBL330377 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H13ClIN5O2/c22-13-7-8-16-14(11-13)20-26-19(17-6-3-9-30-17)27-28(20)21(24-16)25-18(29)10-12-4-1-2-5-15(12)23/h1-9,11H,10H2,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.2	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 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))	BDBM50065768 (CHEMBL330377 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H13ClIN5O2/c22-13-7-8-16-14(11-13)20-26-19(17-6-3-9-30-17)27-28(20)21(24-16)25-18(29)10-12-4-1-2-5-15(12)23/h1-9,11H,10H2,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 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))	BDBM50065768 (CHEMBL330377 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H13ClIN5O2/c22-13-7-8-16-14(11-13)20-26-19(17-6-3-9-30-17)27-28(20)21(24-16)25-18(29)10-12-4-1-2-5-15(12)23/h1-9,11H,10H2,(H,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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