BDBM50065765 CHEMBL98828::[5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=AXNAZVNXRUWDTF-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 = 50065765   

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))	BDBM50065765 (CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.7	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))	BDBM50065765 (CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.8	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))	BDBM50065765 (CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	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