Compile Data Set for Download or QSAR

Found 218 hits Enz. Inhib. hit(s) with all data for entry = 50047906   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (Homo sapiens (Human))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 cells using cGMP as substrate by malachi...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196760 (CHEMBL3954968) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCC(=O)NO)CC1 Show InChI InChI=1S/C25H34N6O6S/c1-4-6-19-22-23(30(3)28-19)25(33)27-24(26-22)18-15-17(8-9-20(18)37-5-2)38(35,36)31-13-11-16(12-14-31)7-10-21(32)29-34/h8-9,15-16,34H,4-7,10-14H2,1-3H3,(H,29,32)(H,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196765 (CHEMBL3986487) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H33N9O6S/c1-4-6-20-22-23(35(3)32-20)26(38)31-24(30-22)19-13-18(7-8-21(19)42-5-2)43(40,41)34-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)33-39/h7-8,13-15,17,34,39H,4-6,9-12H2,1-3H3,(H,33,37)(H,30,31,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50088373 (CHEBI:46295 | Vardenafil | cid_110634) Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE5A				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196643 (CHEMBL3925737) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C26H28N6O6S/c1-4-6-20-23-24(32(3)29-20)26(34)28-25(27-23)19-15-18(12-13-21(19)38-5-2)39(36,37)31-17-10-7-16(8-11-17)9-14-22(33)30-35/h7-15,31,35H,4-6H2,1-3H3,(H,30,33)(H,27,28,34)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196636 (CHEMBL3899814) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1 Show InChI InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196775 (CHEMBL3926754) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCCC(=O)NO)CC1 Show InChI InChI=1S/C25H35N7O6S/c1-4-7-19-22-23(30(3)28-19)25(34)27-24(26-22)18-16-17(9-10-20(18)38-5-2)39(36,37)32-14-12-31(13-15-32)11-6-8-21(33)29-35/h9-10,16,35H,4-8,11-15H2,1-3H3,(H,29,33)(H,26,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (Homo sapiens (Human))	BDBM50196675 (CHEMBL3900593) Show SMILES CCOc1ccc(CC2CC(C2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(44.14,-3.5,;44.14,-5.04,;45.47,-5.81,;45.47,-7.35,;44.14,-8.12,;44.14,-9.66,;45.49,-10.43,;45.49,-11.97,;46.83,-12.74,;47.23,-14.22,;48.71,-13.81,;48.31,-12.33,;50.05,-14.58,;50.06,-16.12,;51.38,-13.8,;52.72,-14.56,;46.81,-9.66,;46.81,-8.12,;48.14,-7.35,;49.47,-8.11,;50.8,-7.34,;52.25,-7.82,;52.73,-9.28,;54.24,-9.6,;53.16,-6.58,;52.25,-5.34,;52.73,-3.87,;50.8,-5.81,;49.47,-5.03,;49.47,-3.49,;48.14,-5.81,)| Show InChI InChI=1S/C22H27N5O4/c1-4-16-18-19(27(3)25-16)22(29)24-20(23-18)15-11-12(6-7-17(15)31-5-2)8-13-9-14(10-13)21(28)26-30/h6-7,11,13-14,30H,4-5,8-10H2,1-3H3,(H,26,28)(H,23,24,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 cells using cGMP as substrate by malachi...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196781 (CHEMBL3898716) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCC(=O)NO)CC1 Show InChI InChI=1S/C24H33N7O6S/c1-4-6-18-21-22(29(3)27-18)24(33)26-23(25-21)17-15-16(7-8-19(17)37-5-2)38(35,36)31-13-11-30(12-14-31)10-9-20(32)28-34/h7-8,15,34H,4-6,9-14H2,1-3H3,(H,28,32)(H,25,26,33)	PDB MMDB Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196669 (CHEMBL3970984) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C26H31N9O6S/c1-4-6-19-21-22(33(3)31-19)25(37)30-23(29-21)18-13-17(7-8-20(18)41-5-2)42(39,40)35-11-9-34(10-12-35)26-27-14-16(15-28-26)24(36)32-38/h7-8,13-15,38H,4-6,9-12H2,1-3H3,(H,32,36)(H,29,30,37)	PDB MMDB Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196642 (CHEMBL3984639) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(cn1)C(=O)NO Show InChI InChI=1S/C22H22N6O4/c1-4-15-18-19(28(3)26-15)22(30)25-20(24-18)14-10-12(7-9-17(14)32-5-2)16-8-6-13(11-23-16)21(29)27-31/h6-11,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196763 (CHEMBL3956031) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(nc1)C(=O)NO Show InChI InChI=1S/C22H22N6O4/c1-4-15-18-19(28(3)26-15)22(30)25-20(24-18)14-10-12(7-9-17(14)32-5-2)13-6-8-16(23-11-13)21(29)27-31/h6-11,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC3/NCOR2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analys...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196774 (CHEMBL3895860) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO Show InChI InChI=1S/C21H21N5O5/c1-4-13-17-18(26(3)24-13)21(28)23-19(22-17)12-10-11(6-7-15(12)30-5-2)14-8-9-16(31-14)20(27)25-29/h6-10,29H,4-5H2,1-3H3,(H,25,27)(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196761 (CHEMBL3966438) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C(=O)NO Show InChI InChI=1S/C17H19N5O4/c1-4-11-13-14(22(3)20-11)17(24)19-15(18-13)10-8-9(16(23)21-25)6-7-12(10)26-5-2/h6-8,25H,4-5H2,1-3H3,(H,21,23)(H,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196729 (CHEMBL3923840) Show SMILES CCOc1ccc(CN2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H31N9O4/c1-4-19-21-22(33(3)31-19)25(37)30-23(29-21)18-12-16(6-7-20(18)39-5-2)15-34-8-10-35(11-9-34)26-27-13-17(14-28-26)24(36)32-38/h6-7,12-14,38H,4-5,8-11,15H2,1-3H3,(H,32,36)(H,29,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196669 (CHEMBL3970984) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C26H31N9O6S/c1-4-6-19-21-22(33(3)31-19)25(37)30-23(29-21)18-13-17(7-8-20(18)41-5-2)42(39,40)35-11-9-34(10-12-35)26-27-14-16(15-28-26)24(36)32-38/h7-8,13-15,38H,4-6,9-12H2,1-3H3,(H,32,36)(H,29,30,37)	PDB MMDB NCI pathway Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE5A				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE5A				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196671 (CHEMBL3945565) Show SMILES CCOc1ccc(OC2CCC(CC2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(53.45,-22.36,;53.45,-23.9,;54.78,-24.67,;54.78,-26.21,;53.45,-26.98,;53.45,-28.53,;54.8,-29.29,;54.8,-30.83,;56.14,-31.6,;56.14,-33.14,;57.47,-33.9,;58.8,-33.13,;58.8,-31.59,;57.46,-30.82,;60.14,-33.9,;60.14,-35.44,;61.47,-33.13,;62.8,-33.89,;56.12,-28.52,;56.12,-26.98,;57.45,-26.21,;58.78,-26.97,;60.11,-26.21,;61.57,-26.68,;62.04,-28.14,;63.55,-28.46,;62.47,-25.44,;61.57,-24.2,;62.04,-22.73,;60.11,-24.67,;58.78,-23.89,;58.78,-22.35,;57.45,-24.67,)| Show InChI InChI=1S/C23H29N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h10-14,31H,4-9H2,1-3H3,(H,27,29)(H,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196778 (CHEMBL3894057) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC2(CCC(C2)C(=O)NO)CC1 Show InChI InChI=1S/C27H36N6O4/c1-4-6-20-22-23(32(3)30-20)26(35)29-24(28-22)19-15-18(7-8-21(19)37-5-2)33-13-11-27(12-14-33)10-9-17(16-27)25(34)31-36/h7-8,15,17,36H,4-6,9-14,16H2,1-3H3,(H,31,34)(H,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196764 (CHEMBL3970271) Show SMILES CCOc1ccc(C[C@H]2CC[C@@H](CC2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |r,wU:8.7,wD:11.14,(2.03,-1.64,;2.03,-3.18,;3.37,-3.95,;3.37,-5.49,;2.04,-6.26,;2.04,-7.81,;3.38,-8.57,;3.39,-10.11,;4.73,-10.88,;6.05,-10.09,;7.38,-10.87,;7.39,-12.41,;6.05,-13.18,;4.72,-12.42,;8.72,-13.18,;8.72,-14.72,;10.05,-12.41,;11.38,-13.18,;4.71,-7.8,;4.7,-6.26,;6.04,-5.49,;7.36,-6.25,;8.69,-5.48,;10.15,-5.96,;10.63,-7.42,;12.13,-7.74,;11.05,-4.72,;10.15,-3.48,;10.63,-2.01,;8.69,-3.95,;7.36,-3.17,;7.36,-1.63,;6.04,-3.95,)| Show InChI InChI=1S/C24H31N5O4/c1-4-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-15(8-11-19(17)33-5-2)12-14-6-9-16(10-7-14)23(30)28-32/h8,11,13-14,16,32H,4-7,9-10,12H2,1-3H3,(H,28,30)(H,25,26,31)/t14-,16-	PDB MMDB Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196729 (CHEMBL3923840) Show SMILES CCOc1ccc(CN2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H31N9O4/c1-4-19-21-22(33(3)31-19)25(37)30-23(29-21)18-12-16(6-7-20(18)39-5-2)15-34-8-10-35(11-9-34)26-27-13-17(14-28-26)24(36)32-38/h6-7,12-14,38H,4-5,8-11,15H2,1-3H3,(H,32,36)(H,29,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196647 (CHEMBL3901988) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO |(3.28,-32.96,;3.28,-34.5,;4.61,-35.27,;4.61,-36.81,;3.28,-37.58,;3.28,-39.12,;4.63,-39.89,;5.95,-39.11,;5.95,-37.58,;7.28,-36.81,;8.61,-37.57,;9.94,-36.8,;11.4,-37.27,;11.87,-38.74,;13.38,-39.06,;12.3,-36.03,;11.4,-34.79,;11.87,-33.33,;9.94,-35.27,;8.61,-34.49,;8.61,-32.95,;7.28,-35.27,;4.64,-41.43,;3.55,-42.52,;4.65,-43.6,;5.73,-42.51,;4.66,-45.14,;3.33,-45.92,;5.99,-45.91,;7.32,-45.13,)| Show InChI InChI=1S/C21H25N5O4/c1-4-15-17-18(26(3)24-15)21(28)23-19(22-17)14-10-11(6-7-16(14)30-5-2)12-8-13(9-12)20(27)25-29/h6-7,10,12-13,29H,4-5,8-9H2,1-3H3,(H,25,27)(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196644 (CHEMBL3978271) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196769 (CHEMBL3927691) Show SMILES CCOc1ccc(CC(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O4/c1-4-12-15-16(23(3)21-12)18(25)20-17(19-15)11-8-10(9-14(24)22-26)6-7-13(11)27-5-2/h6-8,26H,4-5,9H2,1-3H3,(H,22,24)(H,19,20,25)	PDB MMDB Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196773 (CHEMBL3908767) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC1C(=O)NO Show InChI InChI=1S/C20H23N5O4/c1-4-14-16-17(25(3)23-14)20(27)22-18(21-16)13-8-10(6-7-15(13)29-5-2)11-9-12(11)19(26)24-28/h6-8,11-12,28H,4-5,9H2,1-3H3,(H,24,26)(H,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196771 (CHEMBL3969922) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C29H35N7O4/c1-4-6-23-25-26(35(3)33-23)29(38)32-27(31-25)22-17-20(9-12-24(22)40-5-2)30-19-13-15-36(16-14-19)21-10-7-18(8-11-21)28(37)34-39/h7-12,17,19,30,39H,4-6,13-16H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196670 (CHEMBL3898715) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCC(CC2)C(=O)NO)ccc1OCC |(28.99,-46.19,;28.51,-44.73,;27.01,-44.41,;26.53,-42.94,;27.43,-41.7,;26.53,-40.46,;27.01,-39,;25.07,-40.94,;25.07,-42.47,;23.75,-43.24,;22.42,-42.48,;22.42,-40.94,;23.75,-40.16,;23.75,-38.62,;21.09,-43.25,;21.09,-44.78,;19.76,-45.56,;19.77,-47.1,;21.11,-47.86,;21.1,-49.4,;22.43,-50.16,;23.77,-49.39,;23.76,-47.85,;22.43,-47.08,;25.1,-50.16,;25.11,-51.7,;26.44,-49.39,;27.77,-50.16,;18.42,-44.79,;18.42,-43.25,;19.75,-42.48,;19.75,-40.94,;18.42,-40.17,;18.41,-38.63,)| Show InChI InChI=1S/C24H32N6O4/c1-4-6-18-20-21(30(3)28-18)24(32)27-22(26-20)17-13-16(11-12-19(17)34-5-2)25-15-9-7-14(8-10-15)23(31)29-33/h11-15,25,33H,4-10H2,1-3H3,(H,29,31)(H,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196673 (CHEMBL3940720) Show SMILES CCOc1ccc(C[C@H]2CC[C@H](CC2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |r,wU:8.7,11.14,(15.87,-1.64,;15.87,-3.18,;17.21,-3.95,;17.21,-5.49,;15.87,-6.26,;15.88,-7.81,;17.22,-8.57,;17.23,-10.11,;18.57,-10.88,;19.88,-10.09,;21.22,-10.87,;21.23,-12.41,;19.89,-13.18,;18.56,-12.42,;22.55,-13.18,;22.55,-14.72,;23.89,-12.41,;25.22,-13.18,;18.55,-7.8,;18.54,-6.26,;19.87,-5.49,;21.2,-6.25,;22.53,-5.48,;23.99,-5.96,;24.47,-7.42,;25.97,-7.74,;24.89,-4.72,;23.99,-3.48,;24.47,-2.01,;22.53,-3.95,;21.2,-3.17,;21.2,-1.63,;19.87,-3.95,)| Show InChI InChI=1S/C24H31N5O4/c1-4-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-15(8-11-19(17)33-5-2)12-14-6-9-16(10-7-14)23(30)28-32/h8,11,13-14,16,32H,4-7,9-10,12H2,1-3H3,(H,28,30)(H,25,26,31)/t14-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196766 (CHEMBL3974954) Show SMILES CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h6-12,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196777 (CHEMBL3962991) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CCC(=O)NO)CC1 Show InChI InChI=1S/C25H34N6O4/c1-4-6-19-22-23(30(3)28-19)25(33)27-24(26-22)18-15-17(8-9-20(18)35-5-2)31-13-11-16(12-14-31)7-10-21(32)29-34/h8-9,15-16,34H,4-7,10-14H2,1-3H3,(H,29,32)(H,26,27,33)	PDB MMDB Reactome pathway 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
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus in...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196780 (CHEMBL3955253) Show SMILES CCOc1ccc(C[C@H]2C[C@H](C2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |r,wU:8.7,10.12,(57.87,-3.32,;57.87,-4.86,;59.21,-5.63,;59.21,-7.17,;57.88,-7.94,;57.88,-9.48,;59.22,-10.25,;59.23,-11.79,;60.57,-12.55,;62.04,-12.14,;62.45,-13.63,;60.96,-14.03,;63.79,-14.39,;63.79,-15.93,;65.12,-13.61,;66.45,-14.38,;60.55,-9.47,;60.54,-7.94,;61.87,-7.16,;63.2,-7.93,;64.53,-7.16,;65.99,-7.63,;66.47,-9.1,;67.97,-9.42,;66.89,-6.39,;65.99,-5.15,;66.47,-3.69,;64.53,-5.62,;63.2,-4.85,;63.2,-3.31,;61.87,-5.62,)| Show InChI InChI=1S/C22H27N5O4/c1-4-16-18-19(27(3)25-16)22(29)24-20(23-18)15-11-12(6-7-17(15)31-5-2)8-13-9-14(10-13)21(28)26-30/h6-7,11,13-14,30H,4-5,8-10H2,1-3H3,(H,26,28)(H,23,24,29)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196669 (CHEMBL3970984) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C26H31N9O6S/c1-4-6-19-21-22(33(3)31-19)25(37)30-23(29-21)18-13-17(7-8-20(18)41-5-2)42(39,40)35-11-9-34(10-12-35)26-27-14-16(15-28-26)24(36)32-38/h7-8,13-15,38H,4-6,9-12H2,1-3H3,(H,32,36)(H,29,30,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus in...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair

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