Compile Data Set for Download or QSAR

Found 300 hits with Last Name = 'kim' and Initial = 'de'   

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))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50277889 (CARFILZOMIB | CHEMBL451887) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome chymotrypsin-like activity in human RPMI-8226 cells using Suc-LLVY-AMC as fluorogenic substrate incubated for 3 hr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522930 (CHEMBL4591740) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C14H14F2N2O2S/c15-11-4-1-9(7-12(11)16)2-6-14-17-10(8-21-14)3-5-13(19)18-20/h1,4,7-8,20H,2-3,5-6H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522929 (CHEMBL4516093) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)cc2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538158 (CHEMBL4632784) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C33H42N4O6/c1-21(2)17-26(30(40)33(4)20-43-33)35-31(41)27(18-23-12-14-25(15-13-23)24-9-6-5-7-10-24)36-32(42)28-11-8-16-37(28)29(39)19-34-22(3)38/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,34,38)(H,35,41)(H,36,42)/t26-,27-,28-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573691 (CHEMBL4845896) Show SMILES C[C@@]1(CO1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538170 (CHEMBL4640135) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N4O6/c1-19(2)15-24(28(38)31(4)18-41-31)33-29(39)25(16-22-11-7-10-21-9-5-6-12-23(21)22)34-30(40)26-13-8-14-35(26)27(37)17-32-20(3)36/h5-7,9-12,19,24-26H,8,13-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538161 (CHEMBL4646371) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522942 (CHEMBL4570194) Show SMILES ONC(=O)CCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C14H16N2O2S/c17-13(16-18)8-7-12-10-19-14(15-12)9-6-11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573696 (CHEMBL4877277) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538157 (CHEMBL4647658) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2cnccn2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C32H41N7O7/c1-19(2)14-23(28(42)32(4)18-46-32)37-29(43)24(38-31(45)26-6-5-13-39(26)27(41)17-35-20(3)40)15-21-7-9-22(10-8-21)36-30(44)25-16-33-11-12-34-25/h7-12,16,19,23-24,26H,5-6,13-15,17-18H2,1-4H3,(H,35,40)(H,36,44)(H,37,43)(H,38,45)/t23-,24-,26-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573693 (CHEMBL4879354) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522922 (CHEMBL4514922) Show SMILES ONC(=O)CCc1csc(CCc2cccs2)n1 Show InChI InChI=1S/C12H14N2O2S2/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538171 (CHEMBL4645467) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N4O6/c1-19(2)14-24(28(38)31(4)18-41-31)33-29(39)25(16-21-11-12-22-8-5-6-9-23(22)15-21)34-30(40)26-10-7-13-35(26)27(37)17-32-20(3)36/h5-6,8-9,11-12,15,19,24-26H,7,10,13-14,16-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573697 (CHEMBL4867231) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50007203 (CHEMBL3237875) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522941 (CHEMBL4582980) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-4-1-10(2-5-11)3-8-14-19-12(9-23-14)6-7-13(21)20-22/h1-2,4-5,9,22H,3,6-8H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522923 (CHEMBL4436629) Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(F)cc2)n1 Show InChI InChI=1S/C14H13FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522933 (CHEMBL4439017) Show SMILES ONC(=O)CCc1csc(CCc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C16H17N3O2S/c20-15(19-21)7-6-12-10-22-16(18-12)8-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,17,21H,5-8H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522945 (CHEMBL4446389) Show SMILES ONC(=O)CCc1csc(CCc2ccc(O)cc2)n1 Show InChI InChI=1S/C14H16N2O3S/c17-12-5-1-10(2-6-12)3-8-14-15-11(9-20-14)4-7-13(18)16-19/h1-2,5-6,9,17,19H,3-4,7-8H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538173 (CHEMBL4635741) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C28H40N4O6/c1-18(2)15-22(25(35)28(4)17-38-28)31-26(36)21(13-12-20-9-6-5-7-10-20)30-27(37)23-11-8-14-32(23)24(34)16-29-19(3)33/h5-7,9-10,18,21-23H,8,11-17H2,1-4H3,(H,29,33)(H,30,37)(H,31,36)/t21-,22-,23-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522937 (CHEMBL4449062) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC Show InChI InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538186 (CHEMBL4639058) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H42N6O6/c1-23(2)18-27(32(44)36(3)22-48-36)40-34(46)28(19-24-11-13-26(14-12-24)25-8-5-4-6-9-25)41-35(47)30-10-7-17-42(30)31(43)21-39-33(45)29-20-37-15-16-38-29/h4-6,8-9,11-16,20,23,27-28,30H,7,10,17-19,21-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t27-,28-,30-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573703 (CHEMBL4870740) Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)CCCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573702 (CHEMBL4867229) Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)CCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538188 (CHEMBL4649310) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538188 (CHEMBL4649310) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					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	71	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538165 (CHEMBL4634638) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H36F2N4O6/c1-16(2)10-19(23(36)26(4)15-39-26)31-24(37)20(11-18-8-6-5-7-9-18)32-25(38)21-12-27(28,29)14-33(21)22(35)13-30-17(3)34/h5-9,16,19-21H,10-15H2,1-4H3,(H,30,34)(H,31,37)(H,32,38)/t19-,20-,21-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538168 (CHEMBL4636386) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H43N5O7/c1-21(2)17-26(30(42)34(4)20-46-34)37-32(44)27(38-33(45)28-11-8-16-39(28)29(41)19-35-22(3)40)18-23-12-14-25(15-13-23)36-31(43)24-9-6-5-7-10-24/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,35,40)(H,36,43)(H,37,44)(H,38,45)/t26-,27-,28-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538166 (CHEMBL4638678) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H37FN4O6/c1-16(2)12-20(24(35)27(4)15-38-27)30-25(36)21(13-18-7-9-19(28)10-8-18)31-26(37)22-6-5-11-32(22)23(34)14-29-17(3)33/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522947 (CHEMBL4520110) Show SMILES Nc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538185 (CHEMBL4638653) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H40N6O6/c1-21(2)15-25(30(42)34(3)20-46-34)38-32(44)26(17-22-10-11-23-7-4-5-8-24(23)16-22)39-33(45)28-9-6-14-40(28)29(41)19-37-31(43)27-18-35-12-13-36-27/h4-5,7-8,10-13,16,18,21,25-26,28H,6,9,14-15,17,19-20H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)/t25-,26-,28-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538167 (CHEMBL4632813) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)CN2CCOCC2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C33H48N6O8/c1-21(2)16-25(30(43)33(4)20-47-33)36-31(44)26(37-32(45)27-6-5-11-39(27)29(42)18-34-22(3)40)17-23-7-9-24(10-8-23)35-28(41)19-38-12-14-46-15-13-38/h7-10,21,25-27H,5-6,11-20H2,1-4H3,(H,34,40)(H,35,41)(H,36,44)(H,37,45)/t25-,26-,27-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522924 (CHEMBL4458196) Show SMILES ONC(=O)CCCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C15H18N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,19H,4,7-10H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522925 (CHEMBL4440734) Show SMILES COc1cc(CCc2nc(CCC(=O)NO)cs2)cc(OC)c1OC Show InChI InChI=1S/C17H22N2O5S/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16-18-12(10-25-16)5-6-15(20)19-21/h8-10,21H,4-7H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM635858 (US20230365530, Example 72) Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@H](F)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM635859 (US20230365530, Example 73) Show SMILES COc1cc2c(NC3CC(C)(C)NC(C)(C)C3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM635861 (US20230365530, Example 75) Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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