Compile Data Set for Download or QSAR

Found 7854 hits with Last Name = 'zhu' and Initial = 'w'   

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
Type-1 angiotensin II receptor A (RAT)	BDBM50161275 (CHEMBL3787059) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C23H21ClN4O4/c1-2-3-8-18-25-20(24)19(22(29)30)28(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-26-23(31)32-27-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,29,30)(H,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Donghua University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method				Bioorg Med Chem 24: 2023-31 (2016) Article DOI: 10.1016/j.bmc.2016.03.028 BindingDB Entry DOI: 10.7270/Q2XW4MQB
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50161276 (CHEMBL3786570) Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C23H21ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Donghua University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method				Bioorg Med Chem 24: 2023-31 (2016) Article DOI: 10.1016/j.bmc.2016.03.028 BindingDB Entry DOI: 10.7270/Q2XW4MQB
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50161277 (CHEMBL3787050) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C23H23ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,29H,2-3,8,13-14H2,1H3,(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Donghua University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method				Bioorg Med Chem 24: 2023-31 (2016) Article DOI: 10.1016/j.bmc.2016.03.028 BindingDB Entry DOI: 10.7270/Q2XW4MQB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522556 (US11161850, Example 23 | US11161850, Example 38) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(cc12)C(O)c1ccccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522674 (3-(2-((1H-Indazol-1-yl)methyl)-8-amino-5-(pyrimidi...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cn3cc4ccccc4n3)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522675 (3-(2-((1H-Indazol-1-yl)methyl)-8-amino-5-(pyrimidi...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cn3ncc4ccccc34)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522676 (US11161850, Example 49 | US11161850, Example 50) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1c(F)cccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522676 (US11161850, Example 49 | US11161850, Example 50) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1c(F)cccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522679 (US11161850, Example 51 | US11161850, Example 52) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1cc(F)ccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522679 (US11161850, Example 51 | US11161850, Example 52) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1cc(F)ccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522681 (US11161850, Example 53 | US11161850, Example 54) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1cccc(F)c1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522681 (US11161850, Example 53 | US11161850, Example 54) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1cccc(F)c1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522683 (US11161850, Example 55 | US11161850, Example 56) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1ccccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522683 (US11161850, Example 55 | US11161850, Example 56) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1ccccc1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522685 (US11161850, Example 57 | US11161850, Example 58) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1ccccc1Cl 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522685 (US11161850, Example 57 | US11161850, Example 58) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1ccccc1Cl 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522687 (US11161850, Example 59) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)C(O)c1ccccc1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522688 (US11161850, Example 60) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(nc12)S(=O)(=O)c1ccccc1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522699 (US11161850, Example 61) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(nn12)C(=O)N1CCC1)-c1cccc(c1)C#N |(2.96,2.39,;1.5,2.87,;1.02,4.33,;-.52,4.33,;-1,2.87,;.25,1.97,;.25,.43,;-1.08,-.34,;-1.08,-1.88,;.25,-2.65,;.25,-4.19,;1.58,-1.88,;3.05,-2.36,;3.95,-1.11,;3.05,.13,;1.58,-.34,;5.49,-1.11,;6.26,.22,;6.26,-2.45,;5.87,-3.94,;7.35,-4.33,;7.75,-2.85,;-2.42,.43,;-2.42,1.97,;-3.75,2.74,;-5.08,1.97,;-5.08,.43,;-3.75,-.34,;-6.42,-.34,;-7.75,-1.11,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522700 (US11161850, Example 62) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccc(O)nc2)n2nc(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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522702 (US11161850, Example 63) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3cccc4ocnc34)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522703 (US11161850, Example 64) Show SMILES Cn1nccc1-c1cccc(F)c1Cc1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncn3)n2n1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522704 (US11161850, Example 65) Show SMILES C[C@]1(CCN(Cc2cccc(F)c2Cc2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)n3n2)C1)C(O)=O |r| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522705 (US11161850, Example 66) Show SMILES CN1CCC2(CN(Cc3cccc(F)c3Cc3nc4c(N)nc(-c5cccc(c5)C#N)c(-c5ccncn5)n4n3)C2)C1=O 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522706 (US11161850, Example 67) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3c(F)cccc3CN3CCN4C(CCC4=O)C3)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522707 (US11161850, Example 68) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3c(F)cccc3CN[C@H]3CCNC3=O)nc12 |r| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522708 (US11161850, Example 69) Show SMILES NC(=O)CNCc1cccc(F)c1Cc1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncn3)n2n1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522709 (US11161850, Example 70) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3c(F)cccc3CN3CCNC(=O)C3)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522710 (US11161850, Example 71) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3c(F)cccc3CN[C@H]3C[C@H](C3)C(O)=O)nc12 |r,wU:32.34,34.39,(-3.02,-4.16,;-3.02,-2.62,;-4.35,-1.85,;-4.35,-.31,;-5.68,.46,;-5.68,2,;-7.02,2.77,;-8.35,2,;-8.35,.46,;-7.02,-.31,;-9.68,-.31,;-11.02,-1.08,;-3.02,.46,;-3.02,2,;-4.35,2.77,;-4.35,4.31,;-3.02,5.08,;-1.68,4.31,;-1.68,2.77,;-1.68,-.31,;-.22,.17,;.69,-1.08,;2.23,-1.08,;3,-2.41,;2.23,-3.75,;.69,-3.75,;3,-5.08,;4.54,-5.08,;5.31,-3.75,;4.54,-2.41,;5.31,-1.08,;6.85,-1.08,;7.62,.25,;7.22,1.74,;8.71,2.14,;9.11,.65,;9.48,3.47,;11.02,3.47,;8.71,4.81,;-.22,-2.33,;-1.68,-1.85,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522711 (US11161850, Example 72) Show SMILES CN1CCC(NCc2cccc(F)c2Cc2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)n3n2)C1=O 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522712 (US11161850, Example 73) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3c(F)cccc3CN3CC(C3)C#N)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522713 (US11161850, Example 74) Show SMILES Cn1ncc(NCc2cccc(F)c2Cc2nc3c(N)nc(-c4cccc(c4)C#N)c(-c4ccncn4)n3n2)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522714 (US11161850, Example 75) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3ccccc3CN[C@H]3CCNC3=O)nc12 |r| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522718 (US11161850, Example 76) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(Cc3c(F)cccc3CN3CC[C@](C)(C3)C(O)=O)nn12)-c1cccc(c1)C#N |r,wU:26.28,wD:26.31,(-.67,2.86,;-2.16,3.26,;-2.63,4.73,;-4.17,4.73,;-4.65,3.26,;-3.4,2.36,;-3.4,.82,;-4.74,.05,;-4.74,-1.49,;-3.4,-2.26,;-3.4,-3.8,;-2.07,-1.49,;-.61,-1.97,;.3,-.72,;1.84,-.72,;2.61,-2.06,;1.84,-3.39,;.3,-3.39,;2.61,-4.73,;4.15,-4.73,;4.92,-3.39,;4.15,-2.06,;4.92,-.72,;6.46,-.72,;7.36,-1.97,;8.83,-1.49,;8.83,.05,;8.43,1.53,;7.36,.52,;9.92,1.13,;11.41,.74,;9.52,2.62,;-.61,.52,;-2.07,.05,;-6.07,.82,;-6.07,2.36,;-7.4,3.13,;-8.74,2.36,;-8.74,.82,;-7.4,.05,;-10.07,.05,;-11.41,-.72,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522719 (US11161850, Example 77) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(nn12)C(N)c1c(F)cccc1F)-c1cccc(c1)C#N |(2.57,2.4,;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,;2.64,.06,;1.17,-.41,;5.08,-1.18,;5.85,-2.52,;5.85,.15,;5.08,1.48,;3.54,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;8.16,-1.18,;-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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522720 (US11161850, Example 78) Show SMILES CNC(c1nc2c(N)nc(-c3cccc(c3)C#N)c(-c3ocnc3C)n2n1)c1c(F)cccc1F |(7.39,-2.52,;5.85,-2.52,;5.08,-1.18,;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,;5.85,.15,;7.39,.15,;8.16,-1.18,;8.16,1.48,;7.39,2.82,;5.85,2.82,;5.08,1.48,;3.54,1.48,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522721 (US11161850, Example 79) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(nn12)C(NCCO)c1c(F)cccc1F)-c1cccc(c1)C#N |(1.78,2.78,;.32,3.26,;-.16,4.73,;-1.7,4.73,;-2.18,3.26,;-.93,2.36,;-.93,.82,;-2.26,.05,;-2.26,-1.49,;-.93,-2.26,;-.93,-3.8,;.4,-1.49,;1.87,-1.97,;2.77,-.72,;1.87,.52,;.4,.05,;4.31,-.72,;5.08,.61,;6.62,.61,;7.39,1.94,;8.93,1.94,;5.08,-2.06,;4.31,-3.39,;2.77,-3.39,;5.08,-4.73,;6.62,-4.73,;7.39,-3.39,;6.62,-2.06,;7.39,-.72,;-3.6,.82,;-3.6,2.36,;-4.93,3.13,;-6.27,2.36,;-6.27,.82,;-4.93,.05,;-7.6,.05,;-8.93,-.72,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522722 (US11161850, Example 80) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(nn12)C(N)c1ccccc1F)-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,;2.64,.06,;1.17,-.41,;5.08,-1.18,;5.85,-2.52,;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,;-2.83,.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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522723 (US11161850, Example 81) Show SMILES Cn1nc(ccc1=O)-c1c(nc(N)c2nc(nn12)C(N)c1c(F)cccc1F)-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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522724 (US11161850, Example 82) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)n2nc(Cc3ncccc3-c3cnco3)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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522725 (US11161850, Example 83) Show SMILES Cn1cc(cn1)-c1cccc(F)c1Cc1nc2c(N)nc(cn2n1)-c1cccc(C#N)c1F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522726 (US11161850, Example 84) Show SMILES CN1CC[C@H](NCc2cccc(F)c2Cc2nc3c(N)nc(cn3n2)-c2cccc(C#N)c2F)C1=O |r| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522727 (US11161850, Example 85) Show SMILES CN1CCC2(CN(Cc3cccc(F)c3Cc3nc4c(N)nc(cn4n3)-c3cccc(C#N)c3F)C2)C1=O 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522728 (US11161850, Example 86) Show SMILES Cc1ncoc1-c1c(nc(N)c2nc(Cc3ccccn3)nn12)-c1cccc(C#N)c1F |(2.55,2.78,;1.09,3.26,;.61,4.73,;-.93,4.73,;-1.41,3.26,;-.16,2.36,;-.16,.82,;-1.49,.05,;-1.49,-1.49,;-.16,-2.26,;-.16,-3.8,;1.17,-1.49,;2.64,-1.97,;3.54,-.72,;5.08,-.72,;5.85,-2.06,;5.08,-3.39,;5.85,-4.73,;7.39,-4.73,;8.16,-3.39,;7.39,-2.06,;2.64,.52,;1.17,.05,;-2.83,.82,;-2.83,2.36,;-4.16,3.13,;-5.5,2.36,;-5.5,.82,;-6.83,.05,;-8.16,-.72,;-4.16,.05,;-4.16,-1.49,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522729 (US11161850, Example 87) Show SMILES Cc1nc(C(O)C(F)F)c(o1)-c1c(nc(N)c2nc(Cc3ccccn3)nn12)-c1cccc(C#N)c1F |(-1.84,5.35,;-.93,4.1,;.61,4.1,;1.09,2.64,;2.55,2.16,;3.32,.83,;3.69,3.19,;3.37,4.7,;5.16,2.72,;-.16,1.73,;-1.41,2.64,;-.16,.19,;-1.49,-.58,;-1.49,-2.12,;-.16,-2.89,;-.16,-4.43,;1.17,-2.12,;2.64,-2.59,;3.54,-1.35,;5.08,-1.35,;5.85,-2.68,;5.08,-4.01,;5.85,-5.35,;7.39,-5.35,;8.16,-4.01,;7.39,-2.68,;2.64,-.1,;1.17,-.58,;-2.83,.19,;-2.83,1.73,;-4.16,2.5,;-5.5,1.73,;-5.5,.19,;-6.83,-.58,;-8.16,-1.35,;-4.16,-.58,;-4.16,-2.12,)| 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522454 (US11161850, Example 1) Show SMILES CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccnn3CC)n2n1 |(8.16,-3.85,;7.39,-2.52,;5.85,-2.52,;5.08,-1.18,;5.85,.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,;2.57,2.4,;3.66,3.49,;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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522459 (US11161850, Example 2) Show SMILES CCCn1nccc1-c1c(nc(N)c2cc(nn12)C(=O)NCC)-c1cccc(c1)C#N |(5.02,3.09,;3.53,3.49,;2.44,2.4,;.95,2.8,;.48,4.26,;-1.06,4.26,;-1.54,2.8,;-.29,1.9,;-.29,.36,;-1.63,-.41,;-1.63,-1.95,;-.29,-2.72,;-.29,-4.26,;1.04,-1.95,;2.5,-2.43,;3.41,-1.18,;2.5,.06,;1.04,-.41,;4.95,-1.18,;5.72,.15,;5.72,-2.52,;7.21,-2.12,;8.3,-3.21,;-2.96,.36,;-2.96,1.9,;-4.3,2.67,;-5.63,1.9,;-5.63,.36,;-4.3,-.41,;-6.96,-.41,;-8.3,-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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522490 (US11161850, Example 3) Show SMILES CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccc(=O)n(C)c3)n2n1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522492 (US11161850, Example 4) Show SMILES CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncn3)n2n1 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522504 (US11161850, Example 5) Show SMILES CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(n2n1)C(C)(F)F 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 Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair

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