Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'christie' and Initial = 'j'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288953 (11'N-(3-bromobenzyl)spiro[dihydro[1,3]dioxolane-2,...) Show SMILES Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22BrNO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7| Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288954 (11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288949 (11'N-(4-iodomobenzyl)spiro[dihydro[1,3]dioxolane-2...) Show SMILES Ic1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:12:17:10.9:19,7:21:10.9:19,THB:11:10:17.21:19,8:9:17.21:19| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-9(2-4-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-5-6-24-20/h1-4,11-19,22H,5-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288950 (11'N-(3-iodobenzyl)spiro[dihydro[1,3]dioxolane-2,8...) Show SMILES Ic1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288955 (11'N-benzylspiro[dihydro[1,3]dioxolane-2,8'-pentac...) Show SMILES C(NC1C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccccc1 |TLB:7:12:5.4:14,2:16:5.4:14,THB:6:5:12.16:14,3:4:12.16:14| Show InChI InChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288952 (11-(3-bromobenzyl)-11-azahexacyclo[5.4.1.02,6.03,1...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Br)c1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5| Show InChI InChI=1S/C18H18BrNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	698	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50108504 (4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50108504 (4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113973 (CHEMBL3605513) Show SMILES N#Cc1cccc(c1)-c1nc(cc2cccnc12)N1CCOCC1 Show InChI InChI=1S/C19H16N4O/c20-13-14-3-1-4-15(11-14)19-18-16(5-2-6-21-18)12-17(22-19)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418943 (CHEMBL1807821) Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418942 (CHEMBL1807822) Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50102692 (4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp el...				J Med Chem 62: 2466-2484 (2019) Article DOI: 10.1021/acs.jmedchem.8b01775 BindingDB Entry DOI: 10.7270/Q21R6V1K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418944 (CHEMBL1807819) Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396765 (CHEMBL2172376) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)| Show InChI InChI=1S/C22H22N2O2S/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418945 (CHEMBL1807818) Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418946 (CHEMBL1807817) Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418958 (CHEMBL1807820) Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113976 (CHEMBL3605510) Show SMILES NC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113975 (CHEMBL3605511) Show SMILES OCC1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50102692 (4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT2				J Med Chem 62: 2466-2484 (2019) Article DOI: 10.1021/acs.jmedchem.8b01775 BindingDB Entry DOI: 10.7270/Q21R6V1K
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50396765 (CHEMBL2172376) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)| Show InChI InChI=1S/C22H22N2O2S/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 289 total )  |  Next  |  Last  >>

Jump to: