Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50030676   

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))	BDBM50300004 (2,2,2-Trifluoro-1-[5-(quinoxalin-6-yl)thiophen-2-y...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2nccnc2c1 Show InChI InChI=1S/C14H7F3N2OS/c15-14(16,17)13(20)12-4-3-11(21-12)8-1-2-9-10(7-8)19-6-5-18-9/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299992 (4-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-6-5-9(20-10)7-1-3-8(4-2-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299999 (1-[5-(4-Acetylphenyl)thiophen-2-yl]-2,2,2-trifluor...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H9F3O2S/c1-8(18)9-2-4-10(5-3-9)11-6-7-12(20-11)13(19)14(15,16)17/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50300001 (1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)thiophen-2-...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C14H9F3O3S/c15-14(16,17)13(18)12-4-3-11(21-12)8-1-2-9-10(7-8)20-6-5-19-9/h1-4,7H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299993 (4-[5-(Trifluoroacetyl)thiophen-2-yl]benzonitrile |...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc(cc1)C#N Show InChI InChI=1S/C13H6F3NOS/c14-13(15,16)12(18)11-6-5-10(19-11)9-3-1-8(7-17)2-4-9/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50300003 (3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25163 (CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50300002 (2,2,2-Trifluoro-1-(5-phenylthiophen-2-yl)ethanone ...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C12H7F3OS/c13-12(14,15)11(16)10-7-6-9(17-10)8-4-2-1-3-5-8/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299995 (2,2,2-Trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethan...) Show SMILES FC(F)(F)C(=O)c1cnc(s1)-c1ccccc1 Show InChI InChI=1S/C11H6F3NOS/c12-11(13,14)9(16)8-6-15-10(17-8)7-4-2-1-3-5-7/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246034 (2,2,2-Trifluoro-1-(5-{3-[(propylsulfonyl)methyl]-1...) Show SMILES CCCS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O4S2/c1-2-5-23(19,20)6-9-16-11(21-17-9)8-4-3-7(22-8)10(18)12(13,14)15/h3-4H,2,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246035 (2,2,2-Trifluoro-1-(5-{3-[(thiophen-2-ylsulfonyl)me...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1nc(CS(=O)(=O)c2cccs2)no1 Show InChI InChI=1S/C13H7F3N2O4S3/c14-13(15,16)11(19)7-3-4-8(24-7)12-17-9(18-22-12)6-25(20,21)10-2-1-5-23-10/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25163 (CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246036 (2,2,2-Trifluoro-1-[5-(3-{[(4-fluorobenzyl)sulfonyl...) Show SMILES Fc1ccc(CS(=O)(=O)Cc2noc(n2)-c2ccc(s2)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C16H10F4N2O4S2/c17-10-3-1-9(2-4-10)7-28(24,25)8-13-21-15(26-22-13)12-6-5-11(27-12)14(23)16(18,19)20/h1-6H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300004 (2,2,2-Trifluoro-1-[5-(quinoxalin-6-yl)thiophen-2-y...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2nccnc2c1 Show InChI InChI=1S/C14H7F3N2OS/c15-14(16,17)13(20)12-4-3-11(21-12)8-1-2-9-10(7-8)19-6-5-18-9/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299998 (2,2,2-Trifluoro-1-[5-(pyridin-2-yl)thiophen-2-yl]e...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C11H6F3NOS/c12-11(13,14)10(16)9-5-4-8(17-9)7-3-1-2-6-15-7/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299998 (2,2,2-Trifluoro-1-[5-(pyridin-2-yl)thiophen-2-yl]e...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C11H6F3NOS/c12-11(13,14)10(16)9-5-4-8(17-9)7-3-1-2-6-15-7/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299997 (2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-y...) Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299997 (2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-y...) Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299991 (2,2,2-Trifluoro-1-(4-phenylthiophen-2-yl)ethanone ...) Show SMILES FC(F)(F)C(=O)c1cc(cs1)-c1ccccc1 Show InChI InChI=1S/C12H7F3OS/c13-12(14,15)11(16)10-6-9(7-17-10)8-4-2-1-3-5-8/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246034 (2,2,2-Trifluoro-1-(5-{3-[(propylsulfonyl)methyl]-1...) Show SMILES CCCS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O4S2/c1-2-5-23(19,20)6-9-16-11(21-17-9)8-4-3-7(22-8)10(18)12(13,14)15/h3-4H,2,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299992 (4-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-6-5-9(20-10)7-1-3-8(4-2-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299993 (4-[5-(Trifluoroacetyl)thiophen-2-yl]benzonitrile |...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc(cc1)C#N Show InChI InChI=1S/C13H6F3NOS/c14-13(15,16)12(18)11-6-5-10(19-11)9-3-1-8(7-17)2-4-9/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299994 (2,2,2-Trifluoro-1-[5-(3-methoxyphenyl)thiophen-2-y...) Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-4-2-3-8(7-9)10-5-6-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299995 (2,2,2-Trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethan...) Show SMILES FC(F)(F)C(=O)c1cnc(s1)-c1ccccc1 Show InChI InChI=1S/C11H6F3NOS/c12-11(13,14)9(16)8-6-15-10(17-8)7-4-2-1-3-5-7/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246035 (2,2,2-Trifluoro-1-(5-{3-[(thiophen-2-ylsulfonyl)me...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1nc(CS(=O)(=O)c2cccs2)no1 Show InChI InChI=1S/C13H7F3N2O4S3/c14-13(15,16)11(19)7-3-4-8(24-7)12-17-9(18-22-12)6-25(20,21)10-2-1-5-23-10/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50300000 (2,2,2-Trifluoro-1-[5-(1H-indol-5-yl)thiophen-2-yl]...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C14H8F3NOS/c15-14(16,17)13(19)12-4-3-11(20-12)9-1-2-10-8(7-9)5-6-18-10/h1-7,18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50299996 (2,2,2-Trifluoro-1-[5-(2-methoxyphenyl)thiophen-2-y...) Show SMILES COc1ccccc1-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-5-3-2-4-8(9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246036 (2,2,2-Trifluoro-1-[5-(3-{[(4-fluorobenzyl)sulfonyl...) Show SMILES Fc1ccc(CS(=O)(=O)Cc2noc(n2)-c2ccc(s2)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C16H10F4N2O4S2/c17-10-3-1-9(2-4-10)7-28(24,25)8-13-21-15(26-22-13)12-6-5-11(27-12)14(23)16(18,19)20/h1-6H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299991 (2,2,2-Trifluoro-1-(4-phenylthiophen-2-yl)ethanone ...) Show SMILES FC(F)(F)C(=O)c1cc(cs1)-c1ccccc1 Show InChI InChI=1S/C12H7F3OS/c13-12(14,15)11(16)10-6-9(7-17-10)8-4-2-1-3-5-8/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299996 (2,2,2-Trifluoro-1-[5-(2-methoxyphenyl)thiophen-2-y...) Show SMILES COc1ccccc1-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-5-3-2-4-8(9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299999 (1-[5-(4-Acetylphenyl)thiophen-2-yl]-2,2,2-trifluor...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H9F3O2S/c1-8(18)9-2-4-10(5-3-9)11-6-7-12(20-11)13(19)14(15,16)17/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300000 (2,2,2-Trifluoro-1-[5-(1H-indol-5-yl)thiophen-2-yl]...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C14H8F3NOS/c15-14(16,17)13(19)12-4-3-11(20-12)9-1-2-10-8(7-9)5-6-18-10/h1-7,18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300001 (1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)thiophen-2-...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C14H9F3O3S/c15-14(16,17)13(18)12-4-3-11(21-12)8-1-2-9-10(7-8)20-6-5-19-9/h1-4,7H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50299994 (2,2,2-Trifluoro-1-[5-(3-methoxyphenyl)thiophen-2-y...) Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-4-2-3-8(7-9)10-5-6-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300003 (3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300002 (2,2,2-Trifluoro-1-(5-phenylthiophen-2-yl)ethanone ...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C12H7F3OS/c13-12(14,15)11(16)10-7-6-9(17-10)8-4-2-1-3-5-8/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50300003 (3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HCT116 cells assessed as inhibition of histone-H3 deacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HCT116 cells assessed as inhibition of histone-H3 deacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50300003 (3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HCT116 cells assessed as alpha-tubulin hyperacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HCT116 cells assessed as alpha-tubulin hyperacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair