Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50036903   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085135 (4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085138 (4-[8-(3-Chloro-phenyl)-[1,7]naphthyridin-6-yl]-ben...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H13ClN2O2/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/h1-12H,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085136 (8-(3-Nitro-phenyl)-6-phenyl-[1,7]naphthyridine | C...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(cc2cccnc12)-c1ccccc1 Show InChI InChI=1S/C20H13N3O2/c24-23(25)17-10-4-8-15(12-17)20-19-16(9-5-11-21-19)13-18(22-20)14-6-2-1-3-7-14/h1-13H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085146 (8-(3-Nitro-phenyl)-6-pyridin-3-yl-[1,7]naphthyridi...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(cc2cccnc12)-c1cccnc1 Show InChI InChI=1S/C19H12N4O2/c24-23(25)16-7-1-4-13(10-16)19-18-14(5-3-9-21-18)11-17(22-19)15-6-2-8-20-12-15/h1-12H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085139 (4-[8-(3-Cyano-phenyl)-[1,7]naphthyridin-6-yl]-benz...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C22H13N3O2/c23-13-14-3-1-4-17(11-14)21-20-18(5-2-10-24-20)12-19(25-21)15-6-8-16(9-7-15)22(26)27/h1-12H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085140 (6-Allyl-8-(3-nitro-phenyl)-[1,7]naphthyridine | CH...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(CC=C)cc2cccnc12 Show InChI InChI=1S/C17H13N3O2/c1-2-5-14-10-12-7-4-9-18-16(12)17(19-14)13-6-3-8-15(11-13)20(21)22/h2-4,6-11H,1,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085137 (6-Furan-2-yl-8-(3-nitro-phenyl)-[1,7]naphthyridine...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(cc2cccnc12)-c1ccco1 Show InChI InChI=1S/C18H11N3O3/c22-21(23)14-6-1-4-12(10-14)18-17-13(5-2-8-19-17)11-15(20-18)16-7-3-9-24-16/h1-11H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085141 (CHEMBL351900 | Trifluoro-methanesulfonic acid 8-(3...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(OS(=O)(=O)C(F)(F)F)cc2cccnc12 Show InChI InChI=1S/C15H8F3N3O5S/c16-15(17,18)27(24,25)26-12-8-10-4-2-6-19-13(10)14(20-12)9-3-1-5-11(7-9)21(22)23/h1-8H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085145 (CHEMBL161714 | Trifluoro-methanesulfonic acid 8-(3...) Show SMILES FC(F)(F)S(=O)(=O)Oc1cc2cccnc2c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H8ClF3N2O3S/c16-11-5-1-3-9(7-11)14-13-10(4-2-6-20-13)8-12(21-14)24-25(22,23)15(17,18)19/h1-8H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085147 (8-(3-Nitro-phenyl)-6-o-tolyl-[1,7]naphthyridine | ...) Show SMILES Cc1ccccc1-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H15N3O2/c1-14-6-2-3-10-18(14)19-13-16-8-5-11-22-20(16)21(23-19)15-7-4-9-17(12-15)24(25)26/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085143 (CHEMBL158286 | Trifluoro-methanesulfonic acid 8-(3...) Show SMILES FC(F)(F)S(=O)(=O)Oc1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C16H8F3N3O3S/c17-16(18,19)26(23,24)25-13-8-12-5-2-6-21-14(12)15(22-13)11-4-1-3-10(7-11)9-20/h1-8H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50346088 ((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085142 (8-(3-Nitro-phenyl)-[1,7]naphthyridin-6-ylamine | C...) Show SMILES Nc1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085134 ((4-Methyl-piperazin-1-yl)-[8-(3-nitro-phenyl)-[1,7...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H19N5O3/c1-23-8-10-24(11-9-23)20(26)17-13-15-5-3-7-21-18(15)19(22-17)14-4-2-6-16(12-14)25(27)28/h2-7,12-13H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50085144 (8-(3-Nitro-phenyl)-[1,7]naphthyridine | CHEMBL3519...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nccc2cccnc12 Show InChI InChI=1S/C14H9N3O2/c18-17(19)12-5-1-3-11(9-12)14-13-10(6-8-16-14)4-2-7-15-13/h1-9H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae				J Med Chem 43: 675-82 (2000) BindingDB Entry DOI: 10.7270/Q2N58N3G
					More data for this Ligand-Target Pair