Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'press' and Initial = 'nj'   

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 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
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)	PDB 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
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)	PDB 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
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
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
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)	PDB 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	PDB 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)	PDB 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)	PDB 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)	PDB 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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048182 (CHEMBL3310787) Show SMILES OC[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H13F2N3O2S/c17-12-3-1-2-8(13(12)18)7-24-16-20-14(10-4-9(10)6-22)11(5-19)15(23)21-16/h1-3,9-10,22H,4,6-7H2,(H,20,21,23)/t9-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048183 (CHEMBL3310788) Show SMILES NC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H12F2N4O2S/c17-11-3-1-2-7(12(11)18)6-25-16-21-13(8-4-9(8)14(20)23)10(5-19)15(24)22-16/h1-3,8-9H,4,6H2,(H2,20,23)(H,21,22,24)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048181 (CHEMBL3310786) Show SMILES OC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C16H11F2N3O3S/c17-11-3-1-2-7(12(11)18)6-25-16-20-13(8-4-9(8)15(23)24)10(5-19)14(22)21-16/h1-3,8-9H,4,6H2,(H,23,24)(H,20,21,22)/t8-,9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					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
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396759 (CHEMBL2172370) Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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))	BDBM50396759 (CHEMBL2172370) Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113974 (CHEMBL3605512) Show SMILES OC1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C20H18N4O/c21-13-14-3-1-4-15(11-14)20-19-16(5-2-8-22-19)12-18(23-20)24-9-6-17(25)7-10-24/h1-5,8,11-12,17,25H,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	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))	BDBM50396762 (CHEMBL2172373) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 |r,wU:3.2,wD:6.9,(13.43,-15.19,;12.09,-14.42,;12.09,-12.88,;10.76,-15.2,;10.76,-16.74,;9.44,-17.51,;8.1,-16.75,;8.09,-15.21,;9.42,-14.43,;6.76,-17.53,;5.43,-16.77,;4.1,-17.54,;2.76,-16.78,;1.44,-17.55,;1.43,-19.09,;2.77,-19.86,;4.1,-19.08,;5.44,-19.85,;6.77,-19.08,;5.44,-21.38,;4.1,-22.16,;4.11,-23.69,;5.44,-24.46,;6.78,-23.68,;8.12,-24.44,;8.13,-25.98,;9.46,-26.75,;6.8,-26.76,;8.11,-27.52,;6.77,-22.15,)| Show InChI InChI=1S/C22H19F3N2O3/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29/h1-5,10-14H,6-9H2,(H,28,29)/t13-,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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 PDE4A-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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113977 (CHEMBL3605509) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1 |r,wU:6.9,wD:3.2,(-8.02,-5.08,;-8.02,-3.85,;-9.08,-3.23,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.01,5.38,;1.08,6,;.01,3.84,)| Show InChI InChI=1S/C21H19ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	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))	BDBM50396758 (CHEMBL2172369) Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClN3O2/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26/h1-5,8,11-13H,6-7,9-10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396756 (CHEMBL2172367) Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396763 (CHEMBL2172374) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 |r,wU:3.2,wD:6.9,(42.24,-3.6,;40.9,-2.83,;40.9,-1.29,;39.57,-3.61,;39.57,-5.15,;38.25,-5.92,;36.91,-5.16,;36.9,-3.62,;38.24,-2.84,;35.58,-5.93,;34.24,-5.18,;32.92,-5.95,;31.58,-5.18,;30.25,-5.95,;30.25,-7.5,;31.58,-8.27,;32.92,-7.49,;34.25,-8.26,;35.59,-7.48,;34.25,-9.79,;32.92,-10.56,;32.92,-12.1,;34.26,-12.87,;35.59,-12.09,;36.93,-12.85,;35.58,-10.55,)| Show InChI InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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))	BDBM50396763 (CHEMBL2172374) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 |r,wU:3.2,wD:6.9,(42.24,-3.6,;40.9,-2.83,;40.9,-1.29,;39.57,-3.61,;39.57,-5.15,;38.25,-5.92,;36.91,-5.16,;36.9,-3.62,;38.24,-2.84,;35.58,-5.93,;34.24,-5.18,;32.92,-5.95,;31.58,-5.18,;30.25,-5.95,;30.25,-7.5,;31.58,-8.27,;32.92,-7.49,;34.25,-8.26,;35.59,-7.48,;34.25,-9.79,;32.92,-10.56,;32.92,-12.1,;34.26,-12.87,;35.59,-12.09,;36.93,-12.85,;35.58,-10.55,)| Show InChI InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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				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 4B (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PDE4B (unknown origin)				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

Displayed 1 to 50 (of 151 total )  |  Next  |  Last  >>

Jump to: