Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'castro-palomino laria' and Initial = 'jc'   

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))	BDBM128311 (US8796284, 93) Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128297 (US8796284, 4) Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128310 (US8796284, 48) Show SMILES Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128307 (US8796284, 38) Show SMILES CC(C)Sc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128306 (US8796284, 36) Show SMILES CCSc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-46.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128305 (US8796284, 29) Show SMILES Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	-45.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128296 (US8796284, 3) Show SMILES Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128295 (US8796284, 1) Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375232 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128311 (US8796284, 93) Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	12	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375233 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128298 (US8796284, 5) Show SMILES Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128308 (US8796284, 44) Show SMILES Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1 Show InChI InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128303 (US8796284, 20) Show SMILES COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128304 (US8796284, 24) Show SMILES CNc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128309 (US8796284, 46) Show SMILES Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-44.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128299 (US8796284, 8) Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18	-44.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128301 (US8796284, 10) Show SMILES Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21	-43.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375229 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375234 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...) Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1 Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128295 (US8796284, 1) Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	25	-45.1	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128300 (US8796284, 9) Show SMILES Nc1nc(nc(N2CCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	-42.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375227 (3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...) Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128302 (US8796284, 13) Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375230 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375228 (3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128302 (US8796284, 13) Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	-43.3	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128299 (US8796284, 8) Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-42.9	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375226 (5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1ccc(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H11FN4/c16-13-9-11(5-8-19-13)12-1-2-14(17)20-15(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375231 (3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1 Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375228 (3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375227 (3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...) Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375232 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	555	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375233 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375229 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375231 (3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1 Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375230 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375226 (5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1ccc(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H11FN4/c16-13-9-11(5-8-19-13)12-1-2-14(17)20-15(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375234 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...) Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1 Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM375229 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM375227 (3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...) Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM375228 (3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM375231 (3-chloro-6-(5-fluoropyridin-3-yl)-5-(3-fluoropyrid...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cncc(F)c1 Show InChI InChI=1S/C15H9ClF2N4/c16-11-5-13(19)22-15(9-3-10(17)7-20-6-9)14(11)8-1-2-21-12(18)4-8/h1-7H,(H2,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the p...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair