NA-DB

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Compound ID	Cluster 0 1 2 3 4 5 6 7 8 9	Compound Type ALL-match base match ribose match	Target Name	Img	Activity				Assay Description	Source
Compound ID	Cluster 0 1 2 3 4 5 6 7 8 9	Compound Type ALL-match base match ribose match	Target Name	Img	Type Ki Inhibition IC50 Emax EC50 Displacement Activity Ratio Efficacy pKA log(activity) pEC50 Potency ratio kon koff Ratio IC50 Relative potency Kd K Bmax T1/2 Kdiss Kbapp Other Loss Kb k_off % Ctrl pA2 pKi FC	Relation = >= > < None <=	Value	Unit nM % None nM^-1 min^-1 min^-1 10^6/M/s /s pmol pM mg-1 pmol/ml hr 10^5/M/s s-1 Ms-1	Assay Description	Source
NAs.000000	2	ribose-match	Adenosine A2a receptor		Ki	=	733.0	nM	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membranes	CHEMBL1132635
NAs.000000	2	ribose-match	Adenosine A2a receptor		Ki	=	285.0	nM	Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand	CHEMBL1128285
NAs.000003	8	ribose-match	Adenosine A2a receptor		Inhibition	=	-1.0	%	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells at 10 uM	CHEMBL1142335
NAs.000003	8	ribose-match	Adenosine A2a receptor		IC50	>=	10000.0	nM	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells	CHEMBL1142335
NAs.000006	2	ribose-match	Adenosine A2a receptor		Ki	=	1000.0	nM	Binding affinity for human Adenosine A2A receptor using [3H]ZM-241385	CHEMBL1136764
NAs.000007	2	all-match	Adenosine A2a receptor		Ki	=	1500.0	nM	Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.	CHEMBL1135807
NAs.000007	2	all-match	Adenosine A2a receptor		Emax	=	126.0	%	Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay	CHEMBL1135807
NAs.000007	2	all-match	Adenosine A2a receptor		EC50	=	12900.0	nM	G-protein activation in human Adenosine A2A receptor expressed in CHO cells using cAMP assay	CHEMBL1135807
NAs.000009	8	ribose-match	Adenosine A2a receptor		Inhibition	=	35.0	%	Inhibition of [3H]CGS21680 binding to human adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL1154768
NAs.000009	8	ribose-match	Adenosine A2a receptor		Inhibition	=	35.0	%	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2086387
NAs.000012	2	all-match	Adenosine A2a receptor		Displacement	=	28.0	%	Percent displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes at 0.00005 M	CHEMBL1144357
NAs.000013	8	ribose-match	Adenosine A2a receptor		Inhibition	=	3.0	%	Displacement of [3H]CGS21680 from human recombinant A2A adenosine receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL3407461
NAs.000014	2	ribose-match	Adenosine A2a receptor		Ki	=	10.9	nM	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells	CHEMBL1144471
NAs.000015	2	all-match	Adenosine A2a receptor		Ki	=	758.0	nM	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells	CHEMBL1142938
NAs.000016	7	ribose-match	Adenosine A2a receptor		Ki	=	3080.0	nM	Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counting analysis	CHEMBL4152191
NAs.000017	8	ribose-match	Adenosine A2a receptor		Inhibition	=	30.0	%	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000017	8	ribose-match	Adenosine A2a receptor		Inhibition	=	30.0	%	Displacement of [3H]CGS21680 from human recombinant A2A adenosine receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL3407461
NAs.000021	8	ribose-match	Adenosine A2a receptor		Inhibition	=	7.0	%	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000022	8	ribose-match	Adenosine A2a receptor		Ki	=	3110.0	nM	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000022	8	ribose-match	Adenosine A2a receptor		Inhibition	=	64.0	%	Displacement of [3H]I-AB-MECA from mouse adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000024	2	ribose-match	Adenosine A2a receptor		IC50	=	11.0	nM	Agonist activity at adenosine A2A receptor	CHEMBL1141649
NAs.000026	2	ribose-match	Adenosine A2a receptor		Ki	=	4000.0	nM	Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells	CHEMBL1138752
NAs.000027	2	ribose-match	Adenosine A2a receptor		Activity	=	45.0	%	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells	CHEMBL1142924
NAs.000027	2	ribose-match	Adenosine A2a receptor		Ki	>	1000.0	nM	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells	CHEMBL1142924
NAs.000028	2	all-match	Adenosine A2a receptor		Ki	>	10000.0	nM	Binding affinity for adenosine A2a receptor as inhibition of 3[H]-CGS 21680 binding in rat striatum	CHEMBL1130877
NAs.000029	7	all-match	Adenosine A2a receptor		Ki	=	46.3	nM	Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680	CHEMBL1140374
NAs.000034	2	ribose-match	Adenosine A2a receptor		Ki	=	1780.0	nM	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells	CHEMBL1142938
NAs.000036	7	all-match	Adenosine A2a receptor		Ki	=	70.4	nM	Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680	CHEMBL1140374
NAs.000037	2	ribose-match	Adenosine A2a receptor		Ki	=	476.0	nM	Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.	CHEMBL3639014
NAs.000038	2	all-match	Adenosine A2a receptor		Ki	=	1000.0	nM	Binding affinity towards adenosine A2A receptor in rat brain striatum	CHEMBL1134790
NAs.000040	7	ribose-match	Adenosine A2a receptor		Ki	=	11600.0	nM	Binding affinity against adenosine A2A receptor from rat brain.	CHEMBL1128362
NAs.000041	2	all-match	Adenosine A2a receptor		Ki	=	31.8	nM	Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptor	CHEMBL3769306
NAs.000042	2	all-match	Adenosine A2a receptor		Displacement	=	45.0	%	Displacement of [3H]-CGS- 21680 from A2A receptors (rA2A) in rat striatal membranes at 100 uM	CHEMBL1134070
NAs.000043	2	all-match	Adenosine A2a receptor		Ki	=	90000.0	nM	Binding affinity against adenosine A2A receptor from rat brain.	CHEMBL1128362
NAs.000044	2	ribose-match	Adenosine A2a receptor		Ki	=	200.0	nM	Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells	CHEMBL1142719
NAs.000044	2	ribose-match	Adenosine A2a receptor		Displacement	=	23.5	%	Affinity towards Adenosine A2A receptor from rat striatal membranes using [3H]-ZM 241385 radioligand	CHEMBL1134582
NAs.000044	2	ribose-match	Adenosine A2a receptor		Ki	=	38.5	nM	Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes	CHEMBL1127377
NAs.000044	2	ribose-match	Adenosine A2a receptor		Ki	=	38.5	nM	Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes	CHEMBL1133730
NAs.000044	2	ribose-match	Adenosine A2a receptor		Ki	=	401.0	nM	Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane	CHEMBL1134334
NAs.000045	8	ribose-match	Adenosine A2a receptor		Inhibition	=	38.0	%	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000045	8	ribose-match	Adenosine A2a receptor		Inhibition	=	22.0	%	Displacement of [3H]I-AB-MECA from mouse adenosine A2A receptor expressed in HEK293 cells at 10 uM after 60 mins by liquid scintillation counting	CHEMBL2062514
NAs.000046	2	all-match	Adenosine A2a receptor		Ki	=	3900.0	nM	Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.	CHEMBL1135807
NAs.000046	2	all-match	Adenosine A2a receptor		Emax	=	100.0	%	Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor in CHO cells using cAMP assay	CHEMBL1135807
NAs.000048	2	ribose-match	Adenosine A2a receptor		Ki	=	3370.0	nM	Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.	CHEMBL3639014
NAs.000049	8	ribose-match	Adenosine A2a receptor		Ki	=	2550.0	nM	Displacement of [3H]CGS21680 from human A2a adenosine receptor expressed in HEK293 cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer	CHEMBL2169760
NAs.000050	7	all-match	Adenosine A2a receptor		IC50	=	3.6	nM	Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodilation incubated for 10 mins prior to addition of 5-HT	CHEMBL3286130
NAs.000051	7	ribose-match	Adenosine A2a receptor		Ki	=	365.0	nM	Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counting analysis	CHEMBL4152191
NAs.000052	7	ribose-match	Adenosine A2a receptor		Ki	=	3.3	nM	Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680	CHEMBL1140374
NAs.000054	7	all-match	Adenosine A2a receptor		Ki	=	12000.0	nM	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells	CHEMBL1153377
NAs.000055	2	all-match	Adenosine A2a receptor		Ki	=	60.0	nM	Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.	CHEMBL1135807