Compile Data Set for Download or QSAR

Found 183 hits Enz. Inhib. hit(s) with all data for entry = 50015251   

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 A1 (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584560 (CHEMBL5077370) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expressed in HEK cell membrane incubated for 60 mins at room temperature b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375499 (CHEMBL259319) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584555 (CHEMBL5084351) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584559 (CHEMBL5088876) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375500 (CHEMBL259607) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584556 (CHEMBL5086406) Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584608 (CHEMBL5071174) Show SMILES N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccco1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584558 (CHEMBL5072557) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584557 (CHEMBL5086487) Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584559 (CHEMBL5088876) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584560 (CHEMBL5077370) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584561 (CHEMBL5088749) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584588 (CHEMBL5084704) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(OC)c(OC)c(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584562 (CHEMBL5076412) Show SMILES COc1ccc(c(OC)c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584563 (CHEMBL5083728) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584564 (CHEMBL5085486) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584565 (CHEMBL5071591) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584566 (CHEMBL5072422) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375505 (CHEMBL259736) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584567 (CHEMBL5074986) Show SMILES Nc1nc(-c2cccc(Cl)c2)c(C#N)c(n1)-c1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584568 (CHEMBL5094160) Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584569 (CHEMBL5069937) Show SMILES Nc1nc(-c2ccsc2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584570 (CHEMBL5086094) Show SMILES Cc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584571 (CHEMBL5083146) Show SMILES Nc1nc(-c2ccc3OCOc3c2)c(C#N)c(n1)-c1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584582 (CHEMBL5080757) Show SMILES Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375488 (CHEMBL260396) Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584581 (CHEMBL5082319) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2ccccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584572 (CHEMBL5089926) Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584573 (CHEMBL5079656) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584574 (CHEMBL5070276) Show SMILES Fc1ccccc1-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584575 (CHEMBL5083457) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584576 (CHEMBL5079760) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584577 (CHEMBL5086673) Show SMILES CNc1nc(-c2ccco2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584578 (CHEMBL5076095) Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584556 (CHEMBL5086406) Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584579 (CHEMBL5092109) Show SMILES COc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210818 (CHEMBL3937015) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584580 (CHEMBL5092947) Show SMILES Nc1nc(-c2cccc(Cl)c2)c(C#N)c(n1)-c1cc(Cl)cc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584581 (CHEMBL5082319) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2ccccc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584570 (CHEMBL5086094) Show SMILES Cc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584582 (CHEMBL5080757) Show SMILES Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584583 (CHEMBL5093448) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584584 (CHEMBL5078264) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(Br)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584585 (CHEMBL5092037) Show SMILES Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375500 (CHEMBL259607) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair

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