Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50042446   

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 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426300 (CHEMBL2312699) Show SMILES [#6]-[#6](=[#7]\[#7+]=[#6](\[#7])-[#7])-[#6]-1=[#6]C([#6])([#6])[#6]-[#6]-[#6]-1 |w:2.2,t:7| Show InChI InChI=1S/C11H20N4/c1-8(14-15-10(12)13)9-5-4-6-11(2,3)7-9/h7H,4-6H2,1-3H3,(H4,12,13,15)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426303 (CHEMBL2312697) Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r| Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426300 (CHEMBL2312699) Show SMILES [#6]-[#6](=[#7]\[#7+]=[#6](\[#7])-[#7])-[#6]-1=[#6]C([#6])([#6])[#6]-[#6]-[#6]-1 |w:2.2,t:7| Show InChI InChI=1S/C11H20N4/c1-8(14-15-10(12)13)9-5-4-6-11(2,3)7-9/h7H,4-6H2,1-3H3,(H4,12,13,15)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426303 (CHEMBL2312697) Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r| Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426304 (CHEMBL2312696) Show SMILES NC(=O)C(CCCN=C(N)CF)NC(=O)c1ccccc1 |w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin)				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r| Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin)				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426300 (CHEMBL2312699) Show SMILES [#6]-[#6](=[#7]\[#7+]=[#6](\[#7])-[#7])-[#6]-1=[#6]C([#6])([#6])[#6]-[#6]-[#6]-1 |w:2.2,t:7| Show InChI InChI=1S/C11H20N4/c1-8(14-15-10(12)13)9-5-4-6-11(2,3)7-9/h7H,4-6H2,1-3H3,(H4,12,13,15)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426303 (CHEMBL2312697) Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r| Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426300 (CHEMBL2312699) Show SMILES [#6]-[#6](=[#7]\[#7+]=[#6](\[#7])-[#7])-[#6]-1=[#6]C([#6])([#6])[#6]-[#6]-[#6]-1 |w:2.2,t:7| Show InChI InChI=1S/C11H20N4/c1-8(14-15-10(12)13)9-5-4-6-11(2,3)7-9/h7H,4-6H2,1-3H3,(H4,12,13,15)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426301 (CHEMBL1402123) Show SMILES CC1CCc2c(C1)sc1ncn(N)c(=N)c21 Show InChI InChI=1S/C11H14N4S/c1-6-2-3-7-8(4-6)16-11-9(7)10(12)15(13)5-14-11/h5-6,12H,2-4,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 37 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426303 (CHEMBL2312697) Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r| Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) at 52 degC				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
					More data for this Ligand-Target Pair