Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'kawaratani' and Initial = 'y'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229194 (CHEMBL251819 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O2S/c1-2-20(25)23-13-14-5-7-15(8-6-14)21(26)24-18-12-16(9-10-17(18)22)19-4-3-11-27-19/h3-12H,2,13,22H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50365501 (CHEMBL1957458) Show SMILES CCN1CCN(C(=O)NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)C(=O)C1=O Show InChI InChI=1S/C25H25N5O4S/c1-2-29-11-12-30(24(33)23(29)32)25(34)27-15-16-5-7-17(8-6-16)22(31)28-20-14-18(9-10-19(20)26)21-4-3-13-35-21/h3-10,13-14H,2,11-12,15,26H2,1H3,(H,27,34)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50365503 (CHEMBL1957463) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1)-c1cccs1 Show InChI InChI=1S/C28H27N3O4S/c29-23-9-8-22(27-2-1-13-36-27)15-24(23)30-28(33)21-6-3-19(4-7-21)16-31(11-12-32)17-20-5-10-25-26(14-20)35-18-34-25/h1-10,13-15,32H,11-12,16-18,29H2,(H,30,33)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50365502 (CHEMBL1957459) Show SMILES CN1CCN(CC1)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C24H27N5O2S/c1-28-10-12-29(13-11-28)24(31)26-16-17-4-6-18(7-5-17)23(30)27-21-15-19(8-9-20(21)25)22-3-2-14-32-22/h2-9,14-15H,10-13,16,25H2,1H3,(H,26,31)(H,27,30)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50365505 (CHEMBL1957464) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)N2CCOCC2)cc1)-c1cccs1 Show InChI InChI=1S/C23H24N4O3S/c24-19-8-7-18(21-2-1-13-31-21)14-20(19)26-22(28)17-5-3-16(4-6-17)15-25-23(29)27-9-11-30-12-10-27/h1-8,13-14H,9-12,15,24H2,(H,25,29)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50229194 (CHEMBL251819 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O2S/c1-2-20(25)23-13-14-5-7-15(8-6-14)21(26)24-18-12-16(9-10-17(18)22)19-4-3-11-27-19/h3-12H,2,13,22H2,1H3,(H,23,25)(H,24,26)	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50365501 (CHEMBL1957458) Show SMILES CCN1CCN(C(=O)NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)C(=O)C1=O Show InChI InChI=1S/C25H25N5O4S/c1-2-29-11-12-30(24(33)23(29)32)25(34)27-15-16-5-7-17(8-6-16)22(31)28-20-14-18(9-10-19(20)26)21-4-3-13-35-21/h3-10,13-14H,2,11-12,15,26H2,1H3,(H,27,34)(H,28,31)	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	670	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50365503 (CHEMBL1957463) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1)-c1cccs1 Show InChI InChI=1S/C28H27N3O4S/c29-23-9-8-22(27-2-1-13-36-27)15-24(23)30-28(33)21-6-3-19(4-7-21)16-31(11-12-32)17-20-5-10-25-26(14-20)35-18-34-25/h1-10,13-15,32H,11-12,16-18,29H2,(H,30,33)	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	740	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50365502 (CHEMBL1957459) Show SMILES CN1CCN(CC1)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C24H27N5O2S/c1-28-10-12-29(13-11-28)24(31)26-16-17-4-6-18(7-5-17)23(30)27-21-15-19(8-9-20(21)25)22-3-2-14-32-22/h2-9,14-15H,10-13,16,25H2,1H3,(H,26,31)(H,27,30)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50365505 (CHEMBL1957464) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)N2CCOCC2)cc1)-c1cccs1 Show InChI InChI=1S/C23H24N4O3S/c24-19-8-7-18(21-2-1-13-31-21)14-20(19)26-22(28)17-5-3-16(4-6-17)15-25-23(29)27-9-11-30-12-10-27/h1-8,13-14H,9-12,15,24H2,(H,25,29)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50365504 (CHEMBL407420) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C24H25N3O4/c25-20-3-1-2-4-21(20)26-24(29)19-8-5-17(6-9-19)14-27(11-12-28)15-18-7-10-22-23(13-18)31-16-30-22/h1-10,13,28H,11-12,14-16,25H2,(H,26,29)	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	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50365504 (CHEMBL407420) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C24H25N3O4/c25-20-3-1-2-4-21(20)26-24(29)19-8-5-17(6-9-19)14-27(11-12-28)15-18-7-10-22-23(13-18)31-16-30-22/h1-10,13,28H,11-12,14-16,25H2,(H,26,29)	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	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair