Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 10713   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM561388 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(pyrimidin-4-y...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ccccn3)cc12 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 A2a (Homo sapiens (Human))	BDBM561435 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-(2-(pyridin-2...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(CCc3ccccn3)nc12)-c1cccc(C#N)c1F |(1.47,2.32,;.01,2.8,;-.47,4.26,;-2.01,4.26,;-2.48,2.8,;-1.24,1.9,;-1.24,.36,;-2.57,-.41,;-2.57,-1.95,;-1.24,-2.72,;-1.24,-4.26,;.1,-1.95,;1.56,-2.43,;2.47,-1.18,;4.01,-1.18,;4.78,.15,;6.26,.55,;7.35,-.54,;8.84,-.14,;9.24,1.34,;8.15,2.43,;6.66,2.03,;1.56,.06,;.1,-.41,;-3.9,.36,;-3.9,1.9,;-5.24,2.67,;-6.57,1.9,;-6.57,.36,;-7.91,-.41,;-9.24,-1.18,;-5.24,-.41,;-5.24,-1.95,)| 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 A2a (Homo sapiens (Human))	BDBM561390 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(pyr...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ncccc3F)cc12 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 A2a (Homo sapiens (Human))	BDBM561391 (3-(4-amino-2-((1-methyl-1H-pyrazol-3-yl)methyl)-7-...) Show SMILES Cn1ccc(Cn2cc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)c3n2)n1 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 A2a (Homo sapiens (Human))	BDBM561392 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(pyridin-4-yl)...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncc2)c2nn(Cc3ccccn3)cc12 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 A2a (Homo sapiens (Human))	BDBM561393 (3-(4-amino-2-(2-fluorobenzyl)-7-(pyrimidin-4-yl)-2...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ccccc3F)cc12 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 A2a (Homo sapiens (Human))	BDBM561394 (3-(7-amino-2-(pyridin-2-ylmethyl)-4-(pyrimidin-4-y...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2cn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561395 (3-(7-amino-4-(1-ethyl-1H-pyrazol-5-yl)-2-(pyridin-...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)cc12)-c1cccc(c1)C#N |(3.69,3.35,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561396 (3-(7-amino-2-((6-methylpyridin-2-yl)methyl)-4-(pyr...) Show SMILES Cc1cccc(Cn2cc3c(-c4ccncn4)c(nc(N)c3n2)-c2cccc(c2)C#N)n1 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 A2a (Homo sapiens (Human))	BDBM561397 (3-(7-amino-4-(1-ethyl-1H-pyrazol-5-yl)-2-((6-methy...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3cccc(C)n3)cc12)-c1cccc(c1)C#N |(2.92,3.35,;1.78,2.32,;.32,2.8,;-.16,4.26,;-1.7,4.26,;-2.18,2.8,;-.93,1.9,;-.93,.36,;-2.26,-.41,;-2.26,-1.95,;-.93,-2.72,;-.93,-4.26,;.4,-1.95,;1.87,-2.43,;2.77,-1.18,;4.31,-1.18,;5.08,.15,;4.31,1.48,;5.08,2.82,;6.62,2.82,;7.39,1.48,;8.93,1.48,;6.62,.15,;1.87,.06,;.4,-.41,;-3.6,.36,;-3.6,1.9,;-4.93,2.67,;-6.27,1.9,;-6.27,.36,;-4.93,-.41,;-7.6,-.41,;-8.93,-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 A2a (Homo sapiens (Human))	BDBM561398 (3-(7-amino-4-(4-methyloxazol-5-yl)-2-(pyridin-2-yl...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccccn3)cc12)-c1cccc(c1)C#N |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561399 (3-(7-amino-4-(4-methyloxazol-5-yl)-24(6-methylpyri...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3cccc(C)n3)cc12)-c1cccc(c1)C#N |(1.78,2.32,;.32,2.8,;-.16,4.26,;-1.7,4.26,;-2.18,2.8,;-.93,1.9,;-.93,.36,;-2.26,-.41,;-2.26,-1.95,;-.93,-2.72,;-.93,-4.26,;.4,-1.95,;1.87,-2.43,;2.77,-1.18,;4.31,-1.18,;5.08,.15,;4.31,1.48,;5.08,2.82,;6.62,2.82,;7.39,1.48,;8.93,1.48,;6.62,.15,;1.87,.06,;.4,-.41,;-3.6,.36,;-3.6,1.9,;-4.93,2.67,;-6.27,1.9,;-6.27,.36,;-4.93,-.41,;-7.6,-.41,;-8.93,-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 A2a (Homo sapiens (Human))	BDBM561400 (3-(7-amino-4-(1-ethyl-1H-pyrazol-5-yl)-2-((3-fluor...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3ncccc3F)cc12)-c1cccc(c1)C#N |(3.64,3.41,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;7.39,.15,;8.16,1.48,;7.39,2.82,;5.85,2.82,;5.08,1.48,;3.54,1.48,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561401 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(pyrimidin-4-y...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561402 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-(pyridin-2-yl...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561403 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-(pyridin-...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(3.64,3.41,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561404 (3-(4-amino-7-(3-methylpyridin-4-yl)-2-(pyridin-2-y...) Show SMILES Cc1cnccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(2.51,1.54,;1.17,2.31,;1.17,3.85,;-.16,4.62,;-1.49,3.85,;-1.49,2.31,;-.16,1.54,;-.16,,;-1.49,-.77,;-1.49,-2.31,;-.16,-3.08,;-.16,-4.62,;1.17,-2.31,;2.64,-2.79,;3.54,-1.54,;5.08,-1.54,;5.85,-.21,;5.08,1.13,;5.85,2.46,;7.39,2.46,;8.16,1.13,;7.39,-.21,;2.64,-.29,;1.17,-.77,;-2.83,,;-2.83,1.54,;-4.16,2.31,;-5.5,1.54,;-5.5,,;-4.16,-.77,;-6.83,-.77,;-8.16,-1.54,)| 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 A2a (Homo sapiens (Human))	BDBM561405 (3-(4-amino-7-(4-(hydroxymethyl)-2-methyloxazol-5-y...) Show SMILES Cc1nc(CO)c(o1)-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(-1.84,4.89,;-.93,3.64,;.61,3.64,;1.09,2.18,;2.55,1.7,;3.64,2.79,;-.16,1.27,;-1.41,2.18,;-.16,-.27,;-1.49,-1.04,;-1.49,-2.58,;-.16,-3.35,;-.16,-4.89,;1.17,-2.58,;2.64,-3.05,;3.54,-1.81,;5.08,-1.81,;5.85,-.47,;5.08,.86,;5.85,2.19,;7.39,2.19,;8.16,.86,;7.39,-.47,;2.64,-.56,;1.17,-1.04,;-2.83,-.27,;-2.83,1.27,;-4.16,2.04,;-5.5,1.27,;-5.5,-.27,;-4.16,-1.04,;-6.83,-1.04,;-8.16,-1.81,)| 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 A2a (Homo sapiens (Human))	BDBM561406 (3-(4-amino-7-(oxazol-5-yl)-2-(pyridin-2-ylmethyl)-...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2cnco2)c2nn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561407 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(quinolin-6-yl...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccc3ncccc3c2)c2nn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561408 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(quinoxalin-6-...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccc3nccnc3c2)c2nn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561409 (3-(4-amino-2-((6-methylpyridin-2-yl)methyl)-7-(pyr...) Show SMILES Cc1cccc(Cn2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)c3n2)n1 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 A2a (Homo sapiens (Human))	BDBM561410 (3-(4-amino-2-((6-methylpyridin-2-yl)methyl)-7-(pyr...) Show SMILES Cc1cccc(Cn2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncc4)c3n2)n1 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 A2a (Homo sapiens (Human))	BDBM561411 (3-(4-amino-2-((6-methylpyridin-2-yl)methyl)-7-(3-m...) Show SMILES Cc1cccc(Cn2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncc4C)c3n2)n1 |(8.93,1.13,;7.39,1.13,;6.62,2.46,;5.08,2.46,;4.31,1.13,;5.08,-.21,;4.31,-1.54,;2.77,-1.54,;1.87,-2.79,;.4,-2.31,;-.93,-3.08,;-.93,-4.62,;-2.26,-2.31,;-2.26,-.77,;-3.6,,;-3.6,1.54,;-4.93,2.31,;-6.27,1.54,;-6.27,,;-4.93,-.77,;-7.6,-.77,;-8.93,-1.54,;-.93,,;-.93,1.54,;-2.26,2.31,;-2.26,3.85,;-.93,4.62,;.4,3.85,;.4,2.31,;1.74,1.54,;.4,-.77,;1.87,-.29,;6.62,-.21,)| 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 A2a (Homo sapiens (Human))	BDBM561412 (3-(4-amino-7-(1-methyl-6-oxo-1,6-dihydropyridin-3-...) Show SMILES Cc1cccc(Cn2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccc(=O)n(C)c4)c3n2)n1 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 A2a (Homo sapiens (Human))	BDBM561413 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-((6-methy...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3cccc(C)n3)nc12)-c1cccc(c1)C#N |(2.87,3.41,;1.78,2.32,;.32,2.8,;-.16,4.26,;-1.7,4.26,;-2.18,2.8,;-.93,1.9,;-.93,.36,;-2.26,-.41,;-2.26,-1.95,;-.93,-2.72,;-.93,-4.26,;.4,-1.95,;1.87,-2.43,;2.77,-1.18,;4.31,-1.18,;5.08,.15,;4.31,1.48,;5.08,2.82,;6.62,2.82,;7.39,1.48,;8.93,1.48,;6.62,.15,;1.87,.06,;.4,-.41,;-3.6,.36,;-3.6,1.9,;-4.93,2.67,;-6.27,1.9,;-6.27,.36,;-4.93,-.41,;-7.6,-.41,;-8.93,-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 A2a (Homo sapiens (Human))	BDBM561414 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-((6-methylpyr...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3cccc(C)n3)nc12)-c1cccc(c1)C#N |(1.78,2.32,;.32,2.8,;-.16,4.26,;-1.7,4.26,;-2.18,2.8,;-.93,1.9,;-.93,.36,;-2.26,-.41,;-2.26,-1.95,;-.93,-2.72,;-.93,-4.26,;.4,-1.95,;1.87,-2.43,;2.77,-1.18,;4.31,-1.18,;5.08,.15,;4.31,1.48,;5.08,2.82,;6.62,2.82,;7.39,1.48,;8.93,1.48,;6.62,.15,;1.87,.06,;.4,-.41,;-3.6,.36,;-3.6,1.9,;-4.93,2.67,;-6.27,1.9,;-6.27,.36,;-4.93,-.41,;-7.6,-.41,;-8.93,-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 A2a (Homo sapiens (Human))	BDBM561415 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(pyr...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ncccc3F)nc12 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 A2a (Homo sapiens (Human))	BDBM561416 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(pyr...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncc2)c2nn(Cc3ncccc3F)nc12 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 A2a (Homo sapiens (Human))	BDBM561417 (US11390624, Example 32) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N 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 A2a (Homo sapiens (Human))	BDBM561418 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-((3-fluor...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(3.64,3.41,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;7.39,.15,;8.16,1.48,;7.39,2.82,;5.85,2.82,;5.08,1.48,;3.54,1.48,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561419 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(1-i...) Show SMILES CC(C)n1nccc1-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(2.87,.82,;2.55,2.32,;3.69,3.35,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;8.16,-1.18,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561420 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(1-m...) Show SMILES Cn1nccc1-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;7.39,.15,;8.16,1.48,;7.39,2.82,;5.85,2.82,;5.08,1.48,;3.54,1.48,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561421 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(4-m...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;7.39,.15,;8.16,1.48,;7.39,2.82,;5.85,2.82,;5.08,1.48,;3.54,1.48,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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 A2a (Homo sapiens (Human))	BDBM561422 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(qui...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccc3nccnc3c2)c2nn(Cc3ncccc3F)nc12 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 A2a (Homo sapiens (Human))	BDBM561423 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-(pyridin-...) Show SMILES CCn1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(3.69,3.35,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-6.83,-.41,;-8.16,-1.18,;-4.16,-.41,;-4.16,-1.95,)| 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 A2a (Homo sapiens (Human))	BDBM561425 (3-(4-amino-7-(1-methyl-1H-pyrazol-5-yl)-2-(pyridin...) Show SMILES Cn1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-6.83,-.41,;-8.16,-1.18,;-4.16,-.41,;-4.16,-1.95,)| 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 A2a (Homo sapiens (Human))	BDBM561426 (3-(4-amino-7-(1-isopropyl-1H-pyrazol-5-yl)-2-(pyri...) Show SMILES CC(C)n1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(3.69,3.35,;2.55,2.32,;2.87,.82,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-6.83,-.41,;-8.16,-1.18,;-4.16,-.41,;-4.16,-1.95,)| 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 A2a (Homo sapiens (Human))	BDBM561427 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-(pyridin-2-yl...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-6.83,-.41,;-8.16,-1.18,;-4.16,-.41,;-4.16,-1.95,)| 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 A2a (Homo sapiens (Human))	BDBM561428 (3-(4-amino-7-(4-(hydroxymethyl)-2-methyloxazol-5-y...) Show SMILES Cc1nc(CO)c(o1)-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(-1.84,4.89,;-.93,3.64,;.61,3.64,;1.09,2.18,;2.55,1.7,;3.69,2.73,;-.16,1.27,;-1.41,2.18,;-.16,-.27,;-1.49,-1.04,;-1.49,-2.58,;-.16,-3.35,;-.16,-4.89,;1.17,-2.58,;2.64,-3.05,;3.54,-1.81,;5.08,-1.81,;5.85,-.47,;5.08,.86,;5.85,2.19,;7.39,2.19,;8.16,.86,;7.39,-.47,;2.64,-.56,;1.17,-1.04,;-2.83,-.27,;-2.83,1.27,;-4.16,2.04,;-5.5,1.27,;-5.5,-.27,;-6.83,-1.04,;-8.16,-1.81,;-4.16,-1.04,;-4.16,-2.58,)| 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 A2a (Homo sapiens (Human))	BDBM561429 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(quinoxalin-6-...) Show SMILES Nc1nc(-c2cccc(C#N)c2F)c(-c2ccc3nccnc3c2)c2nn(Cc3ccccn3)nc12 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 A2a (Homo sapiens (Human))	BDBM561430 (3-(4-amino-2-((1-methyl-1H-pyrazol-3-yl)methyl)-7-...) Show SMILES Cn1ccc(Cn2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)c3n2)n1 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 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 A2a (Homo sapiens (Human))	BDBM561432 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-(1-(pyridin-2...) Show SMILES CC(c1ccccn1)n1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ocnc3C)c2n1 |(5.85,-2.52,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;3.54,-1.18,;2.64,-2.43,;1.17,-1.95,;-.16,-2.72,;-.16,-4.26,;-1.49,-1.95,;-1.49,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-1.18,;-.16,.36,;-.16,1.9,;-1.41,2.8,;-.93,4.26,;.61,4.26,;1.09,2.8,;2.55,2.32,;1.17,-.41,;2.64,.06,)| 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 A2a (Homo sapiens (Human))	BDBM561433 (3-(4-amino-2-(1-(pyridin-2-yl)ethyl)-7-(pyrimidin-...) Show SMILES CC(c1ccccn1)n1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncn3)c2n1 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 A2a (Homo sapiens (Human))	BDBM561434 (3-(4-amino-7-(4-methyloxazol-5-yl)-2-(2-(pyridin-2...) Show SMILES Cc1ncoc1-c1c(nc(N)c2nn(CCc3ccccn3)nc12)-c1cccc(c1)C#N |(1.47,2.32,;.01,2.8,;-.47,4.26,;-2.01,4.26,;-2.48,2.8,;-1.24,1.9,;-1.24,.36,;-2.57,-.41,;-2.57,-1.95,;-1.24,-2.72,;-1.24,-4.26,;.1,-1.95,;1.56,-2.43,;2.47,-1.18,;4.01,-1.18,;4.78,.15,;6.26,.55,;7.35,-.54,;8.84,-.14,;9.24,1.34,;8.15,2.43,;6.66,2.03,;1.56,.06,;.1,-.41,;-3.9,.36,;-3.9,1.9,;-5.24,2.67,;-6.57,1.9,;-6.57,.36,;-5.24,-.41,;-7.91,-.41,;-9.24,-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 A2a (Homo sapiens (Human))	BDBM561389 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-(pyridin-...) Show SMILES CCn1nccc1-c1c(nc(N)c2cn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(3.64,3.41,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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))	BDBM561388 (3-(4-amino-2-(pyridin-2-ylmethyl)-7-(pyrimidin-4-y...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ccccn3)cc12 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	55	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM561389 (3-(4-amino-7-(1-ethyl-1H-pyrazol-5-yl)-2-(pyridin-...) Show SMILES CCn1nccc1-c1c(nc(N)c2cn(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(3.64,3.41,;2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM561390 (3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(pyr...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nn(Cc3ncccc3F)cc12 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	55	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

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