Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'liu' and Initial = 'cy'   

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
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11233 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r| Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	7.5	25
TaiGen Biotechnology Co.					Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...				J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r| Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	58	-41.3	n/a	n/a	n/a	n/a	n/a	7.5	25
TaiGen Biotechnology Co.					Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...				J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11231 (N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	660	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	25
TaiGen Biotechnology Co.					Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...				J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11230 (AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.26E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.5	25
TaiGen Biotechnology Co.					Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...				J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11229 (AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r| Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.5	25
TaiGen Biotechnology Co.					Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...				J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase tousled-like 2 (Homo sapiens (Human))	BDBM50599378 (CHEMBL5204542) Show SMILES CN1CCCC1CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113904 BindingDB Entry DOI: 10.7270/Q26D5Z1J
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase tousled-like 2 (Homo sapiens (Human))	BDBM50599379 (CHEMBL5188455) Show SMILES CN1CCC(CC1)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia 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									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113904 BindingDB Entry DOI: 10.7270/Q26D5Z1J
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127173 (CHEMBL3628598) Show SMILES O=C(N1CCOCC1)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C22H18N4O4/c27-20-16-6-1-2-7-17(16)21(28)19-18(20)23-24-26(19)13-14-4-3-5-15(12-14)22(29)25-8-10-30-11-9-25/h1-7,12H,8-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127164 (CHEMBL3628597) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-9-11-28(12-10-27)24(33)17-6-4-5-16(13-17)14-29-21-20(25-26-29)22(31)18-7-2-3-8-19(18)23(21)32/h2-8,13H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					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	64	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as subst...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127160 (CHEMBL3628595) Show SMILES CCN(CC)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C22H20N4O3/c1-3-25(4-2)22(29)15-9-7-8-14(12-15)13-26-19-18(23-24-26)20(27)16-10-5-6-11-17(16)21(19)28/h5-12H,3-4,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127204 (CHEMBL3628602) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C23H21N5O3/c1-26-10-12-27(13-11-26)23(31)16-8-6-15(7-9-16)14-28-20-19(24-25-28)21(29)17-4-2-3-5-18(17)22(20)30/h2-9H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cell...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127203 (CHEMBL3628601) Show SMILES O=C(N1CCOCC1)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C22H18N4O4/c27-20-16-3-1-2-4-17(16)21(28)19-18(20)23-24-26(19)13-14-5-7-15(8-6-14)22(29)25-9-11-30-12-10-25/h1-8H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127206 (CHEMBL3628604) Show SMILES CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C23H22N4O3/c1-3-26(4-2)19(28)13-15-9-11-16(12-10-15)14-27-21-20(24-25-27)22(29)17-7-5-6-8-18(17)23(21)30/h5-12H,3-4,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase tousled-like 2 (Homo sapiens (Human))	BDBM50599380 (CHEMBL5173181) Show SMILES CN1CCCCC1CCO\N=C1\C(\Cc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113904 BindingDB Entry DOI: 10.7270/Q26D5Z1J
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127158 (CHEMBL3628593) Show SMILES OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C18H11N3O4/c22-16-12-6-1-2-7-13(12)17(23)15-14(16)19-20-21(15)9-10-4-3-5-11(8-10)18(24)25/h1-8H,9H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127175 (CHEMBL3628600) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-10-12-28(13-11-27)24(33)17-8-6-16(7-9-17)14-29-21-20(25-26-29)22(31)18-4-2-3-5-19(18)23(21)32/h2-9H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127161 (CHEMBL3628596) Show SMILES CCN(CC)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C22H20N4O3/c1-3-25(4-2)22(29)15-11-9-14(10-12-15)13-26-19-18(23-24-26)20(27)16-7-5-6-8-17(16)21(19)28/h5-12H,3-4,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127205 (CHEMBL3628603) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-32-17-10-12-27(13-11-17)24(31)16-8-6-15(7-9-16)14-28-21-20(25-26-28)22(29)18-4-2-3-5-19(18)23(21)30/h2-9,17H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Histone deacetylase 2 (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	214	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 min...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127159 (CHEMBL3628594) Show SMILES OC(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C18H11N3O4/c22-16-12-3-1-2-4-13(12)17(23)15-14(16)19-20-21(15)9-10-5-7-11(8-6-10)18(24)25/h1-8H,9H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285592 (CHEMBL4176214) Show SMILES COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC Show InChI InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285591 (CHEMBL4162183) Show SMILES COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285589 (CHEMBL4159460) Show SMILES COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1 Show InChI InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	561	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127136 (CHEMBL1442185) Show SMILES Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O Show InChI InChI=1S/C18H13N3O2/c1-11-6-2-3-7-12(11)10-21-16-15(19-20-21)17(22)13-8-4-5-9-14(13)18(16)23/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	561	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50127164 (CHEMBL3628597) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-9-11-28(12-10-27)24(33)17-6-4-5-16(13-17)14-29-21-20(25-26-29)22(31)18-7-2-3-8-19(18)23(21)32/h2-8,13H,9-12,14H2,1H3	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	602	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50127174 (CHEMBL3628599) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3	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	640	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127135 (CHEMBL3628551) Show SMILES Clc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C17H10ClN3O2/c18-11-5-3-4-10(8-11)9-21-15-14(19-20-21)16(22)12-6-1-2-7-13(12)17(15)23/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50285590 (CHEMBL4172420) Show SMILES COc1cc2ccn(CCCCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC Show InChI InChI=1S/C29H39N3O7/c1-36-24-19-21-15-17-32(27(21)29(38-3)28(24)37-2)16-8-9-18-39-23-12-10-11-22(20-23)30-25(33)13-6-4-5-7-14-26(34)31-35/h10-12,15,17,19-20,35H,4-9,13-14,16,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)...				Eur J Med Chem 143: 792-805 (2018) Article DOI: 10.1016/j.ejmech.2017.11.092 BindingDB Entry DOI: 10.7270/Q2ZW1PFR
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50127135 (CHEMBL3628551) Show SMILES Clc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C17H10ClN3O2/c18-11-5-3-4-10(8-11)9-21-15-14(19-20-21)16(22)12-6-1-2-7-13(12)17(15)23/h1-8H,9H2	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	767	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127155 (CHEMBL3628554) Show SMILES Brc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 Show InChI InChI=1S/C17H10BrN3O2/c18-11-5-3-4-10(8-11)9-21-15-14(19-20-21)16(22)12-6-1-2-7-13(12)17(15)23/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	768	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50127136 (CHEMBL1442185) Show SMILES Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O Show InChI InChI=1S/C18H13N3O2/c1-11-6-2-3-7-12(11)10-21-16-15(19-20-21)17(22)13-8-4-5-9-14(13)18(16)23/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00921 BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair

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