Compile Data Set for Download or QSAR

Found 3867 hits with Last Name = 'qian' and Initial = 'd'   

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))	BDBM605687 ((R)-3-(5-amino-2-(hydroxy(phenyl)methyl)-8-(pyrimi...) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(nn12)[C@H](O)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605688 (US11673894, Ex. No. 66) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(nn12)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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605689 (US11673894, Ex. No. 67) Show SMILES CCn1nccc1-c1c(nc(N)n2nc(nc12)C1(CC1)c1ccccc1)-c1cccc(c1)C#N |(3.66,3.95,;2.57,2.86,;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,;2.64,.52,;1.17,.05,;5.08,-.72,;6.42,.05,;5.08,.82,;5.85,-2.06,;5.08,-3.39,;5.85,-4.73,;7.39,-4.73,;8.16,-3.39,;7.39,-2.06,;-2.83,.82,;-2.83,2.36,;-4.16,3.13,;-5.5,2.36,;-5.5,.82,;-4.16,.05,;-6.83,.05,;-8.16,-.72,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605690 (US11673894, Ex. No. 68) Show SMILES OC(c1nc2c(-c3ccncn3)c(nc(Nc3ncccc3C#N)n2n1)-c1cccc(c1)C#N)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605691 (US11673894, Ex. No. 69) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(NC(C#N)c3ccccc3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605692 (US11673894, Ex. No. 70) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncc2)c2nc(nn12)C1CCOC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605693 (US11673894, Ex. No. 71) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(nn12)C(Oc1ccccn1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605694 (US11673894, Ex. No. 72) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cc3c(F)cccc3CC3C[C@@H](O)[C@H](F)C3)nn12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605695 (US11673894, Ex. No. 73) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cc3c(F)cccc3CN3CCC(CC3)C(O)=O)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605696 (US11673894, Ex. No. 74) Show SMILES CN(Cc1cccc(F)c1Cc1nc2c(-c3ccncn3)c(nc(N)n2n1)-c1cccc(c1)C#N)S(C)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605697 (US11673894, Ex. No. 75) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cc3c(F)cccc3CN3C(=O)CNC3=O)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605698 (US11673894, Ex. No. 76 | US11673894, Ex. No. 77) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(nn12)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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605698 (US11673894, Ex. No. 76 | US11673894, Ex. No. 77) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(nn12)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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605700 (US11673894, Ex. No. 78) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cn3nnc(n3)-c3ccccn3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605701 (US11673894, Ex. No. 79) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cn3nnc(n3)-n3cccn3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605702 (US11673894, Ex. No. 80) Show SMILES Nc1cc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cn3nnc(n3)-c3cscn3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605703 (US11673894, Ex. No. 81) Show SMILES Cc1cc(nn1Cc1nc2c(-c3ccncn3)c(nc(N)n2n1)-c1cccc(c1)C#N)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605704 (US11673894, Ex. No. 82) Show SMILES CCc1ncoc1-c1c(nc(N)n2nc(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(3.66,3.49,;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,;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,;-5.54,.33,;-4.16,-.41,;-6.88,-.44,;-8.21,-1.21,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605705 (US11673894, Ex. No. 83) Show SMILES CCn1nncc1-c1c(nc(N)n2nc(Cc3ccccn3)nc12)-c1cccc(c1)C#N |(3.66,3.49,;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,;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,;-5.54,.33,;-4.16,-.41,;-6.88,-.44,;-8.21,-1.21,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605706 (US11673894, Ex. No. 84) Show SMILES Cc1ncoc1-c1c(nc(N)n2nc(Cc3ncccc3C)nc12)-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,;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,;-5.54,.33,;-4.16,-.41,;-6.88,-.44,;-8.21,-1.21,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605707 (US11673894, Ex. No. 85) Show SMILES Cc1nc(CO)c(o1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(-1.7,4.93,;-.93,3.6,;.61,3.6,;1.09,2.13,;2.57,1.73,;3.66,2.82,;-.16,1.23,;-1.41,2.13,;-.16,-.31,;-1.49,-1.08,;-1.49,-2.62,;-.16,-3.39,;-.16,-4.93,;1.17,-2.62,;2.64,-3.1,;3.54,-1.85,;5.08,-1.85,;5.85,-.52,;5.08,.82,;5.85,2.15,;7.39,2.15,;8.16,.82,;7.39,-.52,;8.16,-1.85,;2.64,-.61,;1.17,-1.08,;-2.83,-.31,;-2.83,1.23,;-4.16,2,;-5.5,1.23,;-5.5,-.31,;-4.16,-1.08,;-6.83,-1.08,;-8.16,-1.85,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605708 (US11673894, Ex. No. 86) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cc3c(F)cccc3CN3CCCS3(=O)=O)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605709 (US11673894, Ex. No. 87) Show SMILES CN1CC(=O)N(Cc2cccc(F)c2Cc2nc3c(-c4ccncn4)c(nc(N)n3n2)-c2cccc(c2)C#N)C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605710 (US11673894, Ex. No. 88) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(Cc3ncccc3F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605711 (US11673894, Ex. No. 89) Show SMILES Cc1ncoc1-c1c(nc(N)n2nc(Cc3cccc(n3)C(F)(F)F)nc12)-c1cccc(c1)C#N |(1.03,2.97,;-.45,3.36,;-.93,4.83,;-2.47,4.83,;-2.95,3.36,;-1.7,2.46,;-1.7,.92,;-3.03,.15,;-3.03,-1.39,;-1.7,-2.16,;-1.7,-3.7,;-.37,-1.39,;1.1,-1.87,;2,-.62,;3.54,-.62,;4.31,-1.95,;3.54,-3.29,;4.31,-4.62,;5.85,-4.62,;6.68,-3.29,;5.85,-1.95,;8.22,-3.29,;9.76,-3.29,;8.22,-4.83,;8.22,-1.75,;1.1,.62,;-.37,.15,;-4.37,.92,;-4.37,2.46,;-5.7,3.23,;-7.04,2.46,;-7.08,.89,;-5.7,.15,;-8.42,.12,;-9.75,-.65,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605712 (US11673894, Ex. No. 90) Show SMILES Cc1ncoc1-c1c(nc(N)n2nc(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(2.57,2.86,;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,;-5.54,.79,;-6.88,.02,;-8.21,-.75,;-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605713 (US11673894, Ex. No. 91) Show SMILES Cc1ncoc1-c1c(nc(N)n2nc(Cc3ncccc3CO)nc12)-c1cccc(c1)C#N |(1.8,2.86,;.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,;4.31,-.72,;5.08,-2.06,;4.31,-3.39,;5.08,-4.73,;6.62,-4.73,;7.39,-3.39,;6.62,-2.06,;7.39,-.72,;8.93,-.72,;1.87,.52,;.4,.05,;-3.6,.82,;-3.6,2.36,;-4.93,3.13,;-6.27,2.36,;-6.31,.79,;-4.93,.05,;-7.65,.02,;-8.98,-.75,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605714 (US11673894, Ex. No. 92) Show SMILES Cc1ncoc1-c1c(nc(N)n2nc(Cc3ccn(C)n3)nc12)-c1cccc(c1)C#N |(2.78,2.32,;1.31,2.8,;.84,4.26,;-.7,4.26,;-1.18,2.8,;.07,1.9,;.07,.36,;-1.27,-.41,;-1.27,-1.95,;.07,-2.72,;.07,-4.26,;1.4,-1.95,;2.87,-2.43,;3.77,-1.18,;5.31,-1.18,;6.08,.15,;7.61,.31,;7.93,1.82,;6.6,2.59,;6.44,4.12,;5.46,1.56,;2.87,.06,;1.4,-.41,;-2.6,.36,;-2.6,1.9,;-3.93,2.67,;-5.27,1.9,;-5.27,.36,;-3.93,-.41,;-6.6,-.41,;-7.93,-1.18,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605715 (US11673894, Ex. No. 93) Show SMILES Cn1ccc(Cc2nc3c(-c4cnco4)c(nc(N)n3n2)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605716 (US11673894, Ex. No. 94) Show SMILES Cc1cccnc1COc1nc2c(-c3ccncn3)c(nc(N)n2n1)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605717 (US11673894, Ex. No. 95) Show SMILES Cc1cccc(COc2nc3c(-c4ccncn4)c(nc(N)n3n2)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605718 (US11673894, Ex. No. 96) Show SMILES Nc1nc(-c2cccc(c2)C#N)c(-c2ccncn2)c2nc(COc3ccccc3C#N)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605719 (US11673894, Ex. No. 97) Show SMILES Cc1cccnc1CNc1nc2c(-c3ccncn3)c(nc(N)n2n1)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605620 (US11673894, Ex. No. 1) Show SMILES Cc1cc(cc(C)n1)-c1c(nc(N)n2ccnc12)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605623 (US11673894, Ex. No. 4) Show SMILES COc1cccc(c1)-c1nc(N)n2ccnc2c1-c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605629 (US11673894, Ex. No. 10) Show SMILES Cc1cc(ccn1)-c1c(nc(N)n2cc(nc12)-c1ccccc1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605633 (US11673894, Ex. No. 14) Show SMILES Cc1cc(ccn1)-c1c(nc(N)n2cc(nc12)C(N)=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605634 (US11673894, Ex. No. 15) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3ccccc3)c(C3=CCN(CC3)C(N)=O)c2n1 |t:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605635 (US11673894, Ex. No. 16) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3ccccc3)c(C3CCN(CC3)C(N)=O)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605636 (US11673894, Ex. No. 17) Show SMILES CCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(nc(N)n2c1OCCO)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605638 (US11673894, Ex. No. 19) Show SMILES CCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(nc(N)n2c1-c1ccccn1)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605639 (US11673894, Ex. No. 20) Show SMILES CCNC(=O)c1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1Br)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605640 (US11673894, Ex. No. 21) Show SMILES CCNC(=O)c1nc2c(-c3cc(C)nc(C)c3)c(nc(N)n2c1C#N)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605643 (US11673894, Ex. No. 23) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3cc(C)[n+]([O-])c(C)c3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605644 (US11673894, Ex. No. 24) Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2cc(nc12)C(=O)N1CC(O)C1)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605645 (US11673894, Ex. No. 25) Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2cc(nc12)C(=O)Nc1cnn(CCO)c1)-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		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605646 (US11673894, Ex. No. 26) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncc3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605647 (US11673894, Ex. No. 27) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncc3C)c2n1 |(8.16,-4.21,;7.39,-2.87,;5.85,-2.87,;5.08,-1.54,;5.85,-.21,;3.54,-1.54,;2.64,-2.79,;1.17,-2.31,;-.16,-3.08,;-.16,-4.62,;-1.49,-2.31,;-1.49,-.77,;-2.83,,;-2.83,1.54,;-4.16,2.31,;-5.5,1.54,;-5.54,-.03,;-4.16,-.77,;-6.88,-.8,;-8.21,-1.57,;-.16,,;-.16,1.54,;-1.49,2.31,;-1.49,3.85,;-.16,4.62,;1.17,3.85,;1.17,2.31,;2.51,1.54,;1.17,-.77,;2.64,-.29,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605648 (US11673894, Ex. No. 28) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncc3F)c2n1 |(8.16,-4.21,;7.39,-2.87,;5.85,-2.87,;5.08,-1.54,;5.85,-.21,;3.54,-1.54,;2.64,-2.79,;1.17,-2.31,;-.16,-3.08,;-.16,-4.62,;-1.49,-2.31,;-1.49,-.77,;-2.83,,;-2.83,1.54,;-4.16,2.31,;-5.5,1.54,;-5.54,-.03,;-4.16,-.77,;-6.88,-.8,;-8.21,-1.57,;-.16,,;-.16,1.54,;-1.49,2.31,;-1.49,3.85,;-.16,4.62,;1.17,3.85,;1.17,2.31,;2.51,1.54,;1.17,-.77,;2.64,-.29,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM605649 (US11673894, Ex. No. 29) Show SMILES CCNC(=O)c1cn2c(N)nc(-c3cccc(c3)C#N)c(-c3ccncc3Cl)c2n1 |(8.16,-4.21,;7.39,-2.87,;5.85,-2.87,;5.08,-1.54,;5.85,-.21,;3.54,-1.54,;2.64,-2.79,;1.17,-2.31,;-.16,-3.08,;-.16,-4.62,;-1.49,-2.31,;-1.49,-.77,;-2.83,,;-2.83,1.54,;-4.16,2.31,;-5.5,1.54,;-5.54,-.03,;-4.16,-.77,;-6.88,-.8,;-8.21,-1.57,;-.16,,;-.16,1.54,;-1.49,2.31,;-1.49,3.85,;-.16,4.62,;1.17,3.85,;1.17,2.31,;2.51,1.54,;1.17,-.77,;2.64,-.29,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<10	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/Q2DB85TN
					More data for this Ligand-Target Pair

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