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SMILES: Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccn(C)n3)nc12)-c1cccc(c1)C#N

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 561431   

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))	BDBM561431 (3-(4-amino-2-((1-methyl-1H-pyrazol-3-yl)methyl)-7-...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccn(C)n3)nc12)-c1cccc(c1)C#N |(2.08,2.32,;.61,2.8,;.13,4.26,;-1.41,4.26,;-1.88,2.8,;-.64,1.9,;-.64,.36,;-1.97,-.41,;-1.97,-1.95,;-.64,-2.72,;-.64,-4.26,;.7,-1.95,;2.16,-2.43,;3.07,-1.18,;4.61,-1.18,;5.38,.15,;4.75,1.56,;5.9,2.59,;7.23,1.82,;8.64,2.44,;6.91,.31,;2.16,.06,;.7,-.41,;-3.3,.36,;-3.3,1.9,;-4.64,2.67,;-5.97,1.9,;-5.97,.36,;-4.64,-.41,;-7.3,-.41,;-8.64,-1.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Stably transfected HEK-293 cells expressing the human adenosine A2A receptor (Perkin Elmer) are maintained in MEM culture medium with 10% FBS and 400...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6H4B
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM561431 (3-(4-amino-2-((1-methyl-1H-pyrazol-3-yl)methyl)-7-...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccn(C)n3)nc12)-c1cccc(c1)C#N |(2.08,2.32,;.61,2.8,;.13,4.26,;-1.41,4.26,;-1.88,2.8,;-.64,1.9,;-.64,.36,;-1.97,-.41,;-1.97,-1.95,;-.64,-2.72,;-.64,-4.26,;.7,-1.95,;2.16,-2.43,;3.07,-1.18,;4.61,-1.18,;5.38,.15,;4.75,1.56,;5.9,2.59,;7.23,1.82,;8.64,2.44,;6.91,.31,;2.16,.06,;.7,-.41,;-3.3,.36,;-3.3,1.9,;-4.64,2.67,;-5.97,1.9,;-5.97,.36,;-4.64,-.41,;-7.3,-.41,;-8.64,-1.18,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a
TBA					Assay Description Stably transfected HEK-293 cells expressing the human adenosine A2B receptor (Perkin Elmer) were maintained in MEM culture medium with 10% FBS and 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6H4B
					More data for this Ligand-Target Pair