BDBM50342517 5-((2-(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethylimino)-3Hxanthen-9-yl)benzoate::CHEMBL1771810

SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(cc3oc2c1)=[N+](C)C

InChI Key: InChIKey=UKMXRDZZVDKYFJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50342517   

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 A2a (Homo sapiens (Human))	BDBM50342517 (5-((2-(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo...) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(cc3oc2c1)=[N+](C)C |(40.33,-23.99,;38.99,-23.23,;38.97,-21.69,;37.66,-24.02,;36.31,-23.26,;35,-24.04,;35.01,-25.57,;33.69,-26.35,;32.35,-25.58,;32.34,-24.04,;31.01,-23.28,;29.68,-24.05,;29.68,-25.59,;31.02,-26.36,;30.24,-27.68,;30.99,-29.03,;28.7,-27.67,;28.35,-23.29,;28.34,-21.75,;27.01,-24.06,;25.68,-23.3,;24.34,-24.07,;23.01,-23.31,;21.67,-24.08,;21.68,-25.62,;20.34,-23.31,;19.01,-24.09,;19.01,-25.63,;17.68,-26.4,;17.68,-27.95,;19.01,-28.72,;19.01,-30.26,;20.35,-31.03,;20.35,-32.57,;21.68,-33.34,;21.85,-34.87,;23.35,-35.19,;24.12,-33.85,;23.09,-32.71,;23.57,-31.25,;25.08,-30.94,;25.56,-29.48,;26.1,-32.09,;27.63,-32.09,;28.1,-33.55,;26.86,-34.45,;25.62,-33.54,;29.57,-34.04,;29.39,-35.57,;30.79,-36.21,;31.84,-35.08,;31.08,-33.73,;20.35,-27.94,;20.35,-26.39,;33.7,-27.89,;32.38,-28.65,;32.38,-30.19,;33.72,-30.95,;35.04,-30.18,;35.03,-28.65,;36.36,-27.88,;36.35,-26.33,;37.67,-25.55,;33.72,-32.49,;35.06,-33.26,;32.39,-33.27,)| Show InChI InChI=1S/C48H45N11O7/c1-56(2)30-12-17-34-39(24-30)66-40-25-31(57(3)4)13-18-35(40)42(34)33-16-11-29(23-36(33)47(62)63)46(61)51-20-19-50-41(60)27-65-32-14-9-28(10-15-32)7-5-21-58-44-37(26-52-58)45-53-43(38-8-6-22-64-38)55-59(45)48(49)54-44/h6,8-18,22-26H,5,7,19-21,27H2,1-4H3,(H4-,49,50,51,52,53,54,55,60,61,62,63)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 2740-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.082 BindingDB Entry DOI: 10.7270/Q2RV0P0B
					More data for this Ligand-Target Pair