Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'panetta' and Initial = 'a'   

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 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255912 (4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255097 (4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255913 (CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255911 (4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50084636 (5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-benzyloxy)-p...) Show SMILES CCCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| Show InChI InChI=1S/C27H23NO4S2/c1-2-6-21-19(11-14-22(25(21)30)24(29)18-7-4-3-5-8-18)16-32-20-12-9-17(10-13-20)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1	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	210	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1	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	220	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	250	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	260	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255851 (4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1	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	310	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	330	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50080991 (5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-phenoxymethy...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| Show InChI InChI=1S/C27H23NO4S2/c1-2-6-20-22(14-13-21(25(20)30)24(29)19-7-4-3-5-8-19)32-16-18-11-9-17(10-12-18)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1	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	420	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255913 (CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1	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	460	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1	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	460	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1	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	520	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255097 (4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	530	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255097 (4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287763 (5-[1-{4-[3-Hydroxy-4-(2-hydroxy-benzoyl)-2-propyl-...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1O |w:16.16,c:21| Show InChI InChI=1S/C27H23NO5S2/c1-2-5-19-22(13-12-20(25(19)31)24(30)18-6-3-4-7-21(18)29)33-15-17-10-8-16(9-11-17)14-23-26(32)28-27(34)35-23/h3-4,6-14,29,31H,2,5,15H2,1H3,(H,28,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287749 (5-[1-[4-(4-Acetyl-3-hydroxy-2-propyl-benzyloxy)-ph...) Show SMILES CCCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(C)=O |w:16.16,c:21| Show InChI InChI=1S/C22H21NO4S2/c1-3-4-18-15(7-10-17(13(2)24)20(18)25)12-27-16-8-5-14(6-9-16)11-19-21(26)23-22(28)29-19/h5-11,25H,3-4,12H2,1-2H3,(H,23,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1	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	640	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1	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	690	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287758 (5-(2-Hydroxy-4-{4-[4-oxo-2-thioxo-thiazolidin-(5Z)...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1cncc(c1)C(O)=O |w:16.16,c:21| Show InChI InChI=1S/C27H22N2O6S2/c1-2-3-19-21(9-8-20(24(19)31)23(30)17-11-18(26(33)34)13-28-12-17)35-14-16-6-4-15(5-7-16)10-22-25(32)29-27(36)37-22/h4-13,31H,2-3,14H2,1H3,(H,33,34)(H,29,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	730	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50287743 (5-[1-[4-(4-Benzoyl-phenoxymethyl)-phenyl]-meth-(Z)...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(COc2ccc(cc2)C(=O)c2ccccc2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C24H17NO3S2/c26-22(18-4-2-1-3-5-18)19-10-12-20(13-11-19)28-15-17-8-6-16(7-9-17)14-21-23(27)25-24(29)30-21/h1-14H,15H2,(H,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287747 (5-[1-[4-(4-Benzoyl-2-benzyl-3-hydroxy-phenoxymethy...) Show SMILES Oc1c(Cc2ccccc2)c(OCc2ccc(C=C3SC(S)=NC3=O)cc2)ccc1C(=O)c1ccccc1 |w:17.17,c:22| Show InChI InChI=1S/C31H23NO4S2/c33-28(23-9-5-2-6-10-23)24-15-16-26(25(29(24)34)17-20-7-3-1-4-8-20)36-19-22-13-11-21(12-14-22)18-27-30(35)32-31(37)38-27/h1-16,18,34H,17,19H2,(H,32,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1	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	870	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255851 (4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1	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	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255912 (4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50080991 (5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-phenoxymethy...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| Show InChI InChI=1S/C27H23NO4S2/c1-2-6-20-22(14-13-21(25(20)30)24(29)19-7-4-3-5-8-19)32-16-18-11-9-17(10-12-18)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cathepsin D at an enzyme level of 50 ng/mL				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287761 (5-[1-[4-(4-Benzoyl-benzyloxy)-phenyl]-meth-(Z)-yli...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(OCc2ccc(cc2)C(=O)c2ccccc2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C24H17NO3S2/c26-22(18-4-2-1-3-5-18)19-10-6-17(7-11-19)15-28-20-12-8-16(9-13-20)14-21-23(27)25-24(29)30-21/h1-14H,15H2,(H,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287759 (5-[1-{4-[3-Hydroxy-2-propyl-4-(pyridine-3-carbonyl...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1cccnc1 |w:16.16,c:21| Show InChI InChI=1S/C26H22N2O4S2/c1-2-4-19-21(11-10-20(24(19)30)23(29)18-5-3-12-27-14-18)32-15-17-8-6-16(7-9-17)13-22-25(31)28-26(33)34-22/h3,5-14,30H,2,4,15H2,1H3,(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255851 (4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1	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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255912 (4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1	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	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50287742 (5-[1-[4-(4-Acetyl-3-methoxy-2-propyl-benzyloxy)-ph...) Show SMILES CCCc1c(COc2ccc(C=C3SC(S)=NC3=O)cc2)ccc(C(C)=O)c1OC |w:11.10,c:15| Show InChI InChI=1S/C23H23NO4S2/c1-4-5-19-16(8-11-18(14(2)25)21(19)27-3)13-28-17-9-6-15(7-10-17)12-20-22(26)24-23(29)30-20/h6-12H,4-5,13H2,1-3H3,(H,24,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair

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