Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'taniguchi' and Initial = 'm'   

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
Chitin synthase 1 (Candida albicans)	BDBM50089536 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089557 (5-[Butyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino...) Show SMILES CCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089551 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-propyl-amin...) Show SMILES CCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-5-15-23(16-8-6-7-14-21(2,3)4)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11H,5,12-13,15-16H2,1-4H3,(H,22,24)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089540 (CHEMBL32125 | Phosphoric acid 5-[(6,6-dimethyl-hep...) Show SMILES CCOP(=O)(OCC)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C23H31N2O5P/c1-7-28-31(27,29-8-2)30-21-17-18-19(24-22(21)26)13-12-14-20(18)25(6)16-11-9-10-15-23(3,4)5/h12-14,21H,7-8,16-17H2,1-6H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089563 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089538 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...) Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089559 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-isopropyl-a...) Show SMILES CC(C)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-16(2)23(15-8-6-7-14-21(3,4)5)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11,16H,12-13,15H2,1-5H3,(H,22,24)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089543 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...) Show SMILES CN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089547 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(O)Cc12 Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10,17,22H,12-13H2,1-4H3,(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
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
Chitin synthase 1 (Candida albicans)	BDBM50089537 (5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...) Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089560 (5-(Hepta-2,4-diynyl-methyl-amino)-3,4-dihydro-1H-q...) Show SMILES CCC#CC#CCN(C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C17H18N2O/c1-3-4-5-6-7-13-19(2)16-10-8-9-15-14(16)11-12-17(20)18-15/h8-10H,3,11-13H2,1-2H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089550 (5-[(6,6-Dimethyl-hept-4-ynyl)-methyl-amino]-3,4-di...) Show SMILES CN(CCCC#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H26N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,5,7,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
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	9.90	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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089562 (3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(N)Cc12 Show InChI InChI=1S/C19H23N3O/c1-19(2,3)11-6-5-7-12-22(4)17-10-8-9-16-14(17)13-15(20)18(23)21-16/h8-10,15H,12-13,20H2,1-4H3,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089561 (5-[((Z)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...) Show SMILES CN(C\C=C/C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089535 ((R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl...) Show SMILES CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C24H31N3O3/c1-16(2)21(25)23(29)30-20-15-17-18(26-22(20)28)11-10-12-19(17)27(6)14-9-7-8-13-24(3,4)5/h10-12,16,20-21H,14-15,25H2,1-6H3,(H,26,28)/t20?,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					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
Chitin synthase 1 (Candida albicans)	BDBM50089556 (5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amin...) Show SMILES CC(C)(C)C#C\C=C\CN(Cc1ccccc1)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C25H28N2O/c1-25(2,3)17-8-5-9-18-27(19-20-11-6-4-7-12-20)23-14-10-13-22-21(23)15-16-24(28)26-22/h4-7,9-14H,15-16,18-19H2,1-3H3,(H,26,28)/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					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
Chitin synthase 1 (Candida albicans)	BDBM50089546 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089548 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-3,4-dih...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C18H22N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-9,19H,10-11,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089546 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					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
Chitin synthase 1 (Candida albicans)	BDBM50089558 (5-[(6-Hydroxy-6-methyl-hepta-2,4-diynyl)-methyl-am...) Show SMILES CN(CC#CC#CC(C)(C)O)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C18H20N2O2/c1-18(2,22)12-5-4-6-13-20(3)16-9-7-8-15-14(16)10-11-17(21)19-15/h7-9,22H,10-11,13H2,1-3H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089553 (CHEMBL32687 | N-((E)-6,6-Dimethyl-hept-2-en-4-ynyl...) Show SMILES CC(C)(C)C#C\C=C\CN(c1cccc2NC(=O)CCc12)S(C)(=O)=O Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)13-6-5-7-14-21(25(4,23)24)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	391	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					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 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	500	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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					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 1 (Homo sapiens (Human))	BDBM50320762 (CHEMBL1164063 | N-(2-Aminophenyl)-4-(((biphenyl-4-...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C29H29N3O2/c30-27-8-4-5-9-28(27)31-29(34)26-16-12-23(13-17-26)21-32(18-19-33)20-22-10-14-25(15-11-22)24-6-2-1-3-7-24/h1-17,33H,18-21,30H2,(H,31,34)	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
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					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
Chitin synthase 1 (Candida albicans)	BDBM50089552 (CHEMBL416596 | N-((E)-6,6-Dimethyl-hept-2-en-4-yny...) Show SMILES CC(=O)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H24N2O2/c1-15(23)22(14-7-5-6-13-20(2,3)4)18-10-8-9-17-16(18)11-12-19(24)21-17/h5,7-10H,11-12,14H2,1-4H3,(H,21,24)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					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 1 (Homo sapiens (Human))	BDBM50320761 (CHEMBL1163973 | N-(2-Aminophenyl)-4-(((2-hydroxyet...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc(cc2)-c2cccs2)cc1 Show InChI InChI=1S/C27H27N3O2S/c28-24-4-1-2-5-25(24)29-27(32)23-13-9-21(10-14-23)19-30(15-16-31)18-20-7-11-22(12-8-20)26-6-3-17-33-26/h1-14,17,31H,15-16,18-19,28H2,(H,29,32)	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 HDAC1				Bioorg Med Chem 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50320760 (CHEMBL1165774 | N-(2-Aminophenyl)-4-((3,3-dimethyl...) Show SMILES CN(C)C(=O)N(Cc1ccc(cc1)C(=O)Nc1ccccc1N)Cc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C28H28N4O2S/c1-31(2)28(34)32(18-20-9-13-22(14-10-20)26-8-5-17-35-26)19-21-11-15-23(16-12-21)27(33)30-25-7-4-3-6-24(25)29/h3-17H,18-19,29H2,1-2H3,(H,30,33)	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 HDAC1				Bioorg Med Chem 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					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))	BDBM50320757 (CHEMBL1165443 | N-(2-aminophenyl)-4-((biphenyl-4-y...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H25N3O/c28-25-8-4-5-9-26(25)30-27(31)24-16-12-21(13-17-24)19-29-18-20-10-14-23(15-11-20)22-6-2-1-3-7-22/h1-17,29H,18-19,28H2,(H,30,31)	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	900	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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50320754 (CHEMBL1163887 | N-(2-aminophenyl)-4-((4-(thiophen-...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2ccc(cc2)-c2cccs2)cc1 Show InChI InChI=1S/C25H23N3OS/c26-22-4-1-2-5-23(22)28-25(29)21-13-9-19(10-14-21)17-27-16-18-7-11-20(12-8-18)24-6-3-15-30-24/h1-15,27H,16-17,26H2,(H,28,29)	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
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089554 (CHEMBL35365 | N-[3-((E)-6,6-Dimethyl-hept-2-en-4-y...) Show SMILES CC(=O)Nc1cccc(NC\C=C\C#CC(C)(C)C)c1 Show InChI InChI=1S/C17H22N2O/c1-14(20)19-16-10-8-9-15(13-16)18-12-7-5-6-11-17(2,3)4/h5,7-10,13,18H,12H2,1-4H3,(H,19,20)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089555 (5-[(6-Methoxy-6-methyl-hepta-2,4-diynyl)-methyl-am...) Show SMILES COC(C)(C)C#CC#CCN(C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H22N2O2/c1-19(2,23-4)13-6-5-7-14-21(3)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50320755 (CHEMBL1165102 | N-(2-aminophenyl)-4-((benzo[b]thio...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H21N3OS/c24-20-6-2-3-7-21(20)26-23(27)17-11-9-16(10-12-17)14-25-15-19-13-18-5-1-4-8-22(18)28-19/h1-13,25H,14-15,24H2,(H,26,27)	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	1.10E+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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					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 1 (Homo sapiens (Human))	BDBM50320759 (CHEMBL1164440 | N-(2-Aminophenyl)-4-((N-(4-(thioph...) Show SMILES CS(=O)(=O)N(Cc1ccc(cc1)C(=O)Nc1ccccc1N)Cc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C26H25N3O3S2/c1-34(31,32)29(17-19-8-12-21(13-9-19)25-7-4-16-33-25)18-20-10-14-22(15-11-20)26(30)28-24-6-3-2-5-23(24)27/h2-16H,17-18,27H2,1H3,(H,28,30)	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	1.20E+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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					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
Chitin synthase 1 (Candida albicans)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r| Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50320756 (CHEMBL1164335 | N-(2-aminophenyl)-4-((3-(thiophen-...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2cccc(c2)-c2cccs2)cc1 Show InChI InChI=1S/C25H23N3OS/c26-22-7-1-2-8-23(22)28-25(29)20-12-10-18(11-13-20)16-27-17-19-5-3-6-21(15-19)24-9-4-14-30-24/h1-15,27H,16-17,26H2,(H,28,29)	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	3.30E+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 18: 3925-33 (2010) Article DOI: 10.1016/j.bmc.2010.04.033 BindingDB Entry DOI: 10.7270/Q29S1R6H
					More data for this Ligand-Target Pair

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