Compile Data Set for Download or QSAR

Found 1447 hits with Last Name = 'walker' and Initial = 'er'   

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))	BDBM618748 (US20230293517, Example 4.26) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C2)C#N)nc1-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		0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618729 (US20230293517, Example 4.7) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(F)(CC2)C#N)nc1-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		0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618966 (N-[5-[2,6-Bis(trideuteriomethyl)-4-pyridyl]-4-(3-c...) Show SMILES [2H]C([2H])([2H])c1cc(cc(n1)C([2H])([2H])[2H])-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618717 (US20230293517, Example 3.8) Show SMILES Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618952 (US20230293517, Example 16.9) Show SMILES CCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618749 (US20230293517, Example 4.27) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)(=O)CC2)nc1-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		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618744 (US20230293517, Example 4.22) Show SMILES COC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618777 (US20230293517, Example 6.7) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C)(C2)C#N)nc1-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		0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618723 (4-Cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyr...) Show SMILES Cc1cccc(c1)-c1nc(NC(=O)N2CCC(CC2)C#N)sc1-c1cc(C)nc(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618770 (4-Cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyr...) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618747 (US20230293517, Example 4.25) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(CO)C2)nc1-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		0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618869 (US20230293517, Example 6.99) Show SMILES Cc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618947 (US20230293517, Example 16.4) Show SMILES Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618751 (US20230293517, Example 4.29) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)C(N)=O)nc1-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		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618951 (US20230293517, Example 16.8) Show SMILES CC(C)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618950 (US20230293517, Example 16.7) Show SMILES Cc1cc(cc(n1)C1CC1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618965 ((3S)-3-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-...) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC[C@@](C)(C2)C#N)nc1-c1cccc(c1)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618790 (US20230293517, Example 6.20) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(CNC3=O)CC2)nc1-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		0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618834 (US20230293517, Example 6.64) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(CO)(C2)C#N)nc1-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		0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618731 (US20230293517, Example 4.9) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC(C)(O)C2)nc1-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		0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618754 (US20230293517, Example 4.32) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)(C#N)C#N)nc1-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		0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618960 (N-[5-[2-Chloro-6-(1-hydroxy-1-methyl-ethyl)-4-pyri...) Show SMILES CC(C)(O)c1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618949 (US20230293517, Example 16.6) Show SMILES Cc1cc(cc(CF)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618914 (4-Cyano-N-[4-(3-cyanophenyl)-5-[2-(1-hydroxy-1-met...) Show SMILES Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618870 (US20230293517, Example 6.100) Show SMILES Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618728 (US20230293517, Example 4.6) Show SMILES COCC1(CCN(CC1)C(=O)Nc1nc(c(s1)-c1cc(C)nc(C)c1)-c1cccc(c1)C#N)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618918 (N-[4-(3-Cyanophenyl)-5-[2-[(1R)-1-hydroxyethyl]-6-...) Show SMILES C[C@@H](O)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N.C[C@H](O)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-c1cccc(c1)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618811 (US20230293517, Example 6.41) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CC2)(C#N)C(C)(C)O)nc1-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		0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618746 (US20230293517, Example 4.24) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=O)CC2)nc1-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		0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618934 (US20230293517, Example 13.14) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCN[C@@H](C2)C#N)nc1-c1cccc(c1)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618716 (US20230293517, Example 3.7) Show SMILES Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCC(C)(O)CC2)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618959 (N-[4-(3-Cyanophenyl)-5-[2-(1-methoxyethyl)-6-methy...) Show SMILES COC(C)c1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618874 (US20230293517, Example 6.104) Show SMILES [2H]C([2H])([2H])c1cc(cc(n1)C([2H])([2H])[2H])-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618745 (US20230293517, Example 4.23) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(CO)(CC2)C#N)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618891 (4-Amino-4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimeth...) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC(N)(CC2)C#N)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618915 (N-[4-(3-Cyanophenyl)-5-[2-(1-hydroxy-1-methyl-ethy...) Show SMILES Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CC3(C2)CCOC3)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618881 (US20230293517, Example 6.111) Show SMILES Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618958 (N-[4-(3-Cyanophenyl)-5-[2-(methoxymethyl)-6-methyl...) Show SMILES COCc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618782 (US20230293517, Example 6.12) Show SMILES CN1CC2(CCN(CC2)C(=O)Nc2nc(c(s2)-c2cc(C)nc(C)c2)-c2cccc(c2)C#N)OC1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618867 (US20230293517, Example 6.97) Show SMILES Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618962 (N-[4-(3-Cyanophenyl)-5-[2-(hydroxymethyl)-6-(trifl...) Show SMILES OCc1cc(cc(n1)C(F)(F)F)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618961 (4-Cyano-N-[4-(3-cyanophenyl)-5-[2-(hydroxymethyl)-...) Show SMILES Cc1cc(cc(CO)n1)-c1sc(NC(=O)N2CCC(C)(CC2)C#N)nc1-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		0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618721 (US20230293517, Example 3.12) Show SMILES Cc1cc(cc(Cl)n1)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-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		0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618880 (US20230293517, Example 6.110) Show SMILES Cc1cc(cc(n1)C1COC1)-c1sc(NC(=O)N2CCC(C)(C2)C#N)nc1-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		0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618734 (N-[4-(3-Cyanophenyl)-5-(2,6-dimethyl-4-pyridyl)thi...) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618823 (US20230293517, Example 6.53) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CC3(C2)CCOC3)nc1-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		0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618724 (US20230293517, Example 4.2) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-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		0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618916 (N-[4-(3-Cyanophenyl)-5-[2-(1-hydroxy-1-methyl-ethy...) Show SMILES Cc1cc(cc(n1)C(C)(C)O)-c1sc(NC(=O)N2CC3(COC3)C2)nc1-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		0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618944 (US20230293517, Example 16.1) Show SMILES Cc1cc(cc(n1)C(F)F)-c1sc(NC(=O)N2CCS(=N)(=O)CC2)nc1-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		0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM618780 (US20230293517, Example 6.10) Show SMILES Cc1cc(cc(C)n1)-c1sc(NC(=O)N2CCC3(COC3)CC2)nc1-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		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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