BDBM50065778 2-(4-Amino-3-iodo-phenyl)-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-acetamide::CHEMBL94968

SMILES: Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I

InChI Key: InChIKey=ZLDYTMRLGRSYDZ-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 = 50065778   

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))	BDBM50065778 (2-(4-Amino-3-iodo-phenyl)-N-(9-chloro-2-furan-2-yl...) Show SMILES Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I Show InChI InChI=1S/C21H14ClIN6O2/c22-12-4-6-16-13(10-12)20-27-19(17-2-1-7-31-17)28-29(20)21(25-16)26-18(30)9-11-3-5-15(24)14(23)8-11/h1-8,10H,9,24H2,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	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 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))	BDBM50065778 (2-(4-Amino-3-iodo-phenyl)-N-(9-chloro-2-furan-2-yl...) Show SMILES Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I Show InChI InChI=1S/C21H14ClIN6O2/c22-12-4-6-16-13(10-12)20-27-19(17-2-1-7-31-17)28-29(20)21(25-16)26-18(30)9-11-3-5-15(24)14(23)8-11/h1-8,10H,9,24H2,(H,25,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.3	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 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))	BDBM50065778 (2-(4-Amino-3-iodo-phenyl)-N-(9-chloro-2-furan-2-yl...) Show SMILES Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I Show InChI InChI=1S/C21H14ClIN6O2/c22-12-4-6-16-13(10-12)20-27-19(17-2-1-7-31-17)28-29(20)21(25-16)26-18(30)9-11-3-5-15(24)14(23)8-11/h1-8,10H,9,24H2,(H,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	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