Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50044193   

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))	BDBM50008731 (CHEMBL3235992) Show SMILES [H][C@@]1([#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#8]1)c1ccccc1n(-[#6])c2=O)\[#6]=[#6]\c1c(-[#8]-[#6])cc(-[#8]-[#6])c2ccc(=O)oc12 |r| Show InChI InChI=1S/C30H29NO6/c1-17(2)14-18-15-19(36-29-20-8-6-7-9-23(20)31(3)30(33)27(18)29)10-11-21-24(34-4)16-25(35-5)22-12-13-26(32)37-28(21)22/h6-14,16,18-19H,15H2,1-5H3/b11-10+/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
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 Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008737 (CHEMBL529210) Show SMILES COc1cc2ccc(=O)oc2c2C=CC(C)(C)Oc12 |c:13| Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3	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	960	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008738 (CHEMBL3235994) Show SMILES COc1cc2ccc(=O)oc2c2CCC(C)(C)Oc12 Show InChI InChI=1S/C15H16O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-5,8H,6-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008732 (5-Methoxyseselin | CHEMBL479894) Show SMILES COc1cc2OC(C)(C)C=Cc2c2oc(=O)ccc12 |c:9| Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008736 (CHEMBL3235993) Show SMILES COc1cc2OC(C)(C)CCc2c2oc(=O)ccc12 Show InChI InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-5,8H,6-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008739 (CHEMBL3235995) Show SMILES CC1(C)Oc2c(O)cc3ccc(=O)oc3c2C=C1 |c:18| Show InChI InChI=1S/C14H12O4/c1-14(2)6-5-9-12-8(3-4-11(16)17-12)7-10(15)13(9)18-14/h3-7,15H,1-2H3	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	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008744 (CHEMBL3236000) Show SMILES COC1=CC(=O)c2cc(C)cc(c2C1=O)-c1c(OC)cc(OC)c2ccc(=O)oc12 |t:2,(47.77,-52.9,;47.78,-51.36,;46.45,-50.58,;46.45,-49.04,;45.11,-48.26,;45.11,-46.72,;43.78,-49.03,;42.44,-48.27,;41.11,-49.04,;39.78,-48.27,;41.11,-50.58,;42.44,-51.36,;43.77,-50.58,;45.1,-51.35,;45.1,-52.89,;42.44,-54.07,;41.11,-54.83,;39.77,-54.06,;39.77,-52.52,;41.11,-56.37,;42.44,-57.14,;42.45,-58.68,;41.12,-59.46,;43.77,-56.36,;45.1,-57.12,;46.43,-56.36,;46.42,-54.82,;47.76,-54.05,;45.09,-54.05,;43.77,-54.82,)| Show InChI InChI=1S/C23H18O7/c1-11-7-13-15(24)9-18(29-4)22(26)20(13)14(8-11)21-17(28-3)10-16(27-2)12-5-6-19(25)30-23(12)21/h5-10H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008742 (CHEMBL3235998) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h5,7-9H,6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008728 (CHEMBL3235991) Show SMILES [#6]-[#8]-c1cc(-[#8])c(\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H](-[#6]-c2c(-[#8]-[#6])cc3oc(=O)ccc3c2-[#8]-[#6])C([#6])([#6])[#8])c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C32H38O10/c1-18(2)9-10-20-24(37-5)16-23(33)19(30(20)39-7)11-13-29(35)42-27(32(3,4)36)15-22-25(38-6)17-26-21(31(22)40-8)12-14-28(34)41-26/h9,11-14,16-17,27,33,36H,10,15H2,1-8H3/b13-11+/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008740 (CHEMBL3235996) Show SMILES [#6]-[#8]-c1cc2oc(=O)ccc2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008743 (CHEMBL3235999) Show SMILES COc1cc(OC)c2ccc(=O)oc2c1CCC(C)C Show InChI InChI=1S/C16H20O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h7-10H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008741 (CHEMBL3235997) Show SMILES COc1cc2oc(=O)ccc2c(OC)c1CCC(C)C Show InChI InChI=1S/C16H20O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h7-10H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50008727 (CHEMBL3235990) Show SMILES COc1cc2oc(=O)ccc2c(OC)c1C[C@H](OC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(C)(C)O |r| Show InChI InChI=1S/C32H36O14/c1-31(2,40)25(12-18-22(42-3)13-23-17(29(18)43-4)7-10-27(37)44-23)46-30(39)32(41)14-21(35)28(38)24(15-32)45-26(36)9-6-16-5-8-19(33)20(34)11-16/h5-11,13,21,24-25,28,33-35,38,40-41H,12,14-15H2,1-4H3/b9-6+/t21-,24-,25+,28-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in...				J Nat Prod 77: 955-62 (2014) Article DOI: 10.1021/np401040d BindingDB Entry DOI: 10.7270/Q2HQ41GQ
					More data for this Ligand-Target Pair