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SMILES: Cc1ocnc1Cn1nc2c(C3=CC(C)=[N++]([O-])C(C)=C3)c(nc(N)n2c1=O)-c1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 616077   

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))	BDBM616077 (US20230271964, Example 1-34) Show SMILES Cc1ocnc1Cn1nc2c(C3=CC(C)=[N++]([O-])C(C)=C3)c(nc(N)n2c1=O)-c1ccccc1 |c:19,t:12,15,(4.47,5.44,;5.07,4.02,;6.57,3.66,;6.69,2.13,;5.27,1.53,;4.27,2.7,;2.73,2.86,;1.83,1.62,;.3,1.46,;-.02,-.05,;-1.36,-.82,;-2.69,-.05,;-2.69,1.49,;-4.02,2.26,;-4.02,3.8,;-5.36,1.49,;-6.69,2.26,;-5.36,-.05,;-6.69,-.82,;-4.02,-.82,;-1.36,-2.36,;-.02,-3.13,;1.31,-2.36,;2.65,-3.13,;1.31,-.82,;2.46,.21,;3.94,-.19,;-2.69,-3.13,;-4.02,-2.36,;-5.36,-3.13,;-5.36,-4.67,;-4.02,-5.44,;-2.69,-4.67,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2251P9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM616077 (US20230271964, Example 1-34) Show SMILES Cc1ocnc1Cn1nc2c(C3=CC(C)=[N++]([O-])C(C)=C3)c(nc(N)n2c1=O)-c1ccccc1 |c:19,t:12,15,(4.47,5.44,;5.07,4.02,;6.57,3.66,;6.69,2.13,;5.27,1.53,;4.27,2.7,;2.73,2.86,;1.83,1.62,;.3,1.46,;-.02,-.05,;-1.36,-.82,;-2.69,-.05,;-2.69,1.49,;-4.02,2.26,;-4.02,3.8,;-5.36,1.49,;-6.69,2.26,;-5.36,-.05,;-6.69,-.82,;-4.02,-.82,;-1.36,-2.36,;-.02,-3.13,;1.31,-2.36,;2.65,-3.13,;1.31,-.82,;2.46,.21,;3.94,-.19,;-2.69,-3.13,;-4.02,-2.36,;-5.36,-3.13,;-5.36,-4.67,;-4.02,-5.44,;-2.69,-4.67,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2251P9N
					More data for this Ligand-Target Pair