Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'knox' and Initial = 't'   

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 6 (Homo sapiens (Human))	BDBM50247556 (CHEMBL4104117) Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50274998 (CHEMBL4126811) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H24N4O6/c1-23(2,3)32-22(30)25-17-10-8-15(9-11-17)19-12-18(27-33-19)21(29)24-13-14-4-6-16(7-5-14)20(28)26-31/h4-12,31H,13H2,1-3H3,(H,24,29)(H,25,30)(H,26,28)	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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252391 (CHEMBL4080014) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using RHK-K(Ac)-A...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279258 (CHEMBL4177129) Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Evaluated for inhibition of Protease after after resynthesis and purification				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337665 (US10227295, Compound JB7-19 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C20H23N5O3/c1-2-3-10-25(13-14-4-6-15(7-5-14)19(26)24-28)20(27)22-17-9-8-16-12-21-23-18(16)11-17/h4-9,11-12,28H,2-3,10,13H2,1H3,(H,21,23)(H,22,27)(H,24,26)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM417049 (4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...) Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM110036 (US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50261816 (CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50439674 (RICOLINOSTAT | US10858323, Compound 2 | US11207431...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513919 (CHEMBL4457162) Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cccnc23)cc1 Show InChI InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM337664 (US10227295, Compound JB6-22 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1 Show InChI InChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513920 (CHEMBL4554511) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCc1cc(no1)C(=O)NO Show InChI InChI=1S/C21H23N5O7/c1-21(2,3)31-20(29)23-13-6-4-12(5-7-13)17-11-16(26-33-17)18(27)22-9-8-14-10-15(25-32-14)19(28)24-30/h4-7,10-11,30H,8-9H2,1-3H3,(H,22,27)(H,23,29)(H,24,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252392 (CHEMBL4069287) Show SMILES ONC(=O)c1ccc(Cn2c3CCS(=O)(=O)c3c3ccccc23)cc1 Show InChI InChI=1S/C18H16N2O4S/c21-18(19-22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)17-16(20)9-10-25(17,23)24/h1-8,22H,9-11H2,(H,19,21)	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human HDAC6 expressed in baculovirus infected sf9 insect cells using Fluor de Lys as substrate preincubated for...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
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	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513925 (CHEMBL4556111) Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc3ccccc3c2)on1 Show InChI InChI=1S/C17H15N3O4/c21-16(13-6-5-11-3-1-2-4-12(11)9-13)18-8-7-14-10-15(20-24-14)17(22)19-23/h1-6,9-10,23H,7-8H2,(H,18,21)(H,19,22)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279264 (CHEMBL4174193) Show SMILES CC(C)CN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-14(2)12-22(19(24)20-17-6-4-3-5-7-17)13-15-8-10-16(11-9-15)18(23)21-25/h3-11,14,25H,12-13H2,1-2H3,(H,20,24)(H,21,23)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513916 (CHEMBL4469488) Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50261816 (CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513918 (CHEMBL4462652) Show SMILES ONC(=O)c1ccc(CNCc2csc3ccccc23)cc1 Show InChI InChI=1S/C17H16N2O2S/c20-17(19-21)13-7-5-12(6-8-13)9-18-10-14-11-22-16-4-2-1-3-15(14)16/h1-8,11,18,21H,9-10H2,(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	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic substrate incubated for 30 mins by fluorescence assay				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513926 (CHEMBL4483795) Show SMILES ONC(=O)c1cc(CCNC(=O)c2cccc(c2)-c2ccccc2)on1 Show InChI InChI=1S/C19H17N3O4/c23-18(20-10-9-16-12-17(22-26-16)19(24)21-25)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-8,11-12,25H,9-10H2,(H,20,23)(H,21,24)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513917 (CHEMBL4520424) Show SMILES ONC(=O)c1cc(CCC(=O)Nc2nc(cs2)-c2ccccc2)on1 Show InChI InChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252388 (CHEMBL4079541) Show SMILES OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1 Show InChI InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC1 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM110036 (US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279260 (CHEMBL4167374) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cc(C)ccn1 Show InChI InChI=1S/C19H24N4O3/c1-3-4-11-23(19(25)21-17-12-14(2)9-10-20-17)13-15-5-7-16(8-6-15)18(24)22-26/h5-10,12,26H,3-4,11,13H2,1-2H3,(H,22,24)(H,20,21,25)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279261 (CHEMBL4166504) Show SMILES CC(C)OC(=O)N(CCc1ccccc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O4/c1-15(2)26-20(24)22(13-12-16-6-4-3-5-7-16)14-17-8-10-18(11-9-17)19(23)21-25/h3-11,15,25H,12-14H2,1-2H3,(H,21,23)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50439674 (RICOLINOSTAT | US10858323, Compound 2 | US11207431...) Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50369345 (CHEMBL4165724 | US11207431, Example 1 | US11890356...) Show SMILES CN(Cc1ccc(cc1F)C(=O)NO)CC12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| Show InChI InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate by fluorescence assay				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50279262 (CHEMBL4159465) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C19H30N4O3/c1-2-3-13-23(19(25)20-10-14-22-11-4-5-12-22)15-16-6-8-17(9-7-16)18(24)21-26/h6-9,26H,2-5,10-15H2,1H3,(H,20,25)(H,21,24)	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	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513916 (CHEMBL4469488) Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM417049 (4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...) Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGl...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	122	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGlo Su...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513921 (CHEMBL4584312) Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccccc2)on1 Show InChI InChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)14-7-6-10-8-11(16-20-10)13(18)15-19/h1-5,8,19H,6-7H2,(H,14,17)(H,15,18)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513928 (CHEMBL4470946) Show SMILES ONC(=O)c1cc(CCCOc2ccc(Cl)c(Cl)c2)on1 Show InChI InChI=1S/C13H12Cl2N2O4/c14-10-4-3-8(6-11(10)15)20-5-1-2-9-7-12(17-21-9)13(18)16-19/h3-4,6-7,19H,1-2,5H2,(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	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					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	241	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGl...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50513917 (CHEMBL4520424) Show SMILES ONC(=O)c1cc(CCC(=O)Nc2nc(cs2)-c2ccccc2)on1 Show InChI InChI=1S/C16H14N4O4S/c21-14(7-6-11-8-12(20-24-11)15(22)19-23)18-16-17-13(9-25-16)10-4-2-1-3-5-10/h1-5,8-9,23H,6-7H2,(H,19,22)(H,17,18,21)	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	307	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50274998 (CHEMBL4126811) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H24N4O6/c1-23(2,3)32-22(30)25-17-10-8-15(9-11-17)19-12-18(27-33-19)21(29)24-13-14-4-6-16(7-5-14)20(28)26-31/h4-12,31H,13H2,1-3H3,(H,24,29)(H,25,30)(H,26,28)	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	436	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50513915 (CHEMBL4447715) Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC7 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrat...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50513916 (CHEMBL4469488) Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGl...				J Med Chem 62: 8557-8577 (2019) Article DOI: 10.1021/acs.jmedchem.9b00946 BindingDB Entry DOI: 10.7270/Q2542RXH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	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	604	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC1 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair

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