Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'baek' and Initial = 'ks'   

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))	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522930 (CHEMBL4591740) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C14H14F2N2O2S/c15-11-4-1-9(7-12(11)16)2-6-14-17-10(8-21-14)3-5-13(19)18-20/h1,4,7-8,20H,2-3,5-6H2,(H,18,19)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522929 (CHEMBL4516093) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)cc2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522942 (CHEMBL4570194) Show SMILES ONC(=O)CCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C14H16N2O2S/c17-13(16-18)8-7-12-10-19-14(15-12)9-6-11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,16,17)	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
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522922 (CHEMBL4514922) Show SMILES ONC(=O)CCc1csc(CCc2cccs2)n1 Show InChI InChI=1S/C12H14N2O2S2/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(H,17,18)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522941 (CHEMBL4582980) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-4-1-10(2-5-11)3-8-14-19-12(9-23-14)6-7-13(21)20-22/h1-2,4-5,9,22H,3,6-8H2,(H,20,21)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522923 (CHEMBL4436629) Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(F)cc2)n1 Show InChI InChI=1S/C14H13FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(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	44	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,18)	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142926 (CHEMBL3759759) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C23H36ClN5O4/c1-27(2)23(31)29-9-5-15(6-10-29)13-28-8-7-19(21(14-28)33-4)26-22(30)16-11-17(24)18(25)12-20(16)32-3/h11-12,15,19,21H,5-10,13-14,25H2,1-4H3,(H,26,30)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522933 (CHEMBL4439017) Show SMILES ONC(=O)CCc1csc(CCc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C16H17N3O2S/c20-15(19-21)7-6-12-10-22-16(18-12)8-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,17,21H,5-8H2,(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	54	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522945 (CHEMBL4446389) Show SMILES ONC(=O)CCc1csc(CCc2ccc(O)cc2)n1 Show InChI InChI=1S/C14H16N2O3S/c17-12-5-1-10(2-6-12)3-8-14-15-11(9-20-14)4-7-13(18)16-19/h1-2,5-6,9,17,19H,3-4,7-8H2,(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	57	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522937 (CHEMBL4449062) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC Show InChI InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142909 (CHEMBL3759928) Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142929 (CHEMBL3758309) Show SMILES CO[C@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					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	71	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142928 (CHEMBL3758976) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C24H38ClN5O4/c1-15(2)27-24(32)30-9-5-16(6-10-30)13-29-8-7-20(22(14-29)34-4)28-23(31)17-11-18(25)19(26)12-21(17)33-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,32)(H,28,31)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142921 (CHEMBL3758433) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C25H39ClN4O4/c1-16(2)11-24(31)30-9-5-17(6-10-30)14-29-8-7-21(23(15-29)34-4)28-25(32)18-12-19(26)20(27)13-22(18)33-3/h12-13,16-17,21,23H,5-11,14-15,27H2,1-4H3,(H,28,32)/t21-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,18)	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522947 (CHEMBL4520110) Show SMILES Nc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(H,17,18)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522924 (CHEMBL4458196) Show SMILES ONC(=O)CCCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C15H18N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,19H,4,7-10H2,(H,17,18)	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	95	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522925 (CHEMBL4440734) Show SMILES COc1cc(CCc2nc(CCC(=O)NO)cs2)cc(OC)c1OC Show InChI InChI=1S/C17H22N2O5S/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16-18-12(10-25-16)5-6-15(20)19-21/h8-10,21H,4-7H2,1-3H3,(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	97	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(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	98	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522932 (CHEMBL4467027) Show SMILES ONC(=O)CCc1csc(CCc2ccco2)n1 Show InChI InChI=1S/C12H14N2O3S/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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	101	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522937 (CHEMBL4449062) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC Show InChI InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19)	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522927 (CHEMBL4518594) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C15H15N3O2S/c16-9-12-3-1-11(2-4-12)5-8-15-17-13(10-21-15)6-7-14(19)18-20/h1-4,10,20H,5-8H2,(H,18,19)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522944 (CHEMBL4542710) Show SMILES ONC(=O)CCc1csc(\C=C\c2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C16H15N3O2S/c20-15(19-21)7-6-12-10-22-16(18-12)8-5-11-9-17-14-4-2-1-3-13(11)14/h1-5,8-10,17,21H,6-7H2,(H,19,20)/b8-5+	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	117	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142920 (CHEMBL3759944) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C25H39ClN4O4/c1-25(2,3)24(32)30-10-6-16(7-11-30)14-29-9-8-20(22(15-29)34-5)28-23(31)17-12-18(26)19(27)13-21(17)33-4/h12-13,16,20,22H,6-11,14-15,27H2,1-5H3,(H,28,31)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522942 (CHEMBL4570194) Show SMILES ONC(=O)CCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C14H16N2O2S/c17-13(16-18)8-7-12-10-19-14(15-12)9-6-11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,16,17)	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	118	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522927 (CHEMBL4518594) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C15H15N3O2S/c16-9-12-3-1-11(2-4-12)5-8-15-17-13(10-21-15)6-7-14(19)18-20/h1-4,10,20H,5-8H2,(H,18,19)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					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	132	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142919 (CHEMBL3759860) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142923 (CHEMBL3758641) Show SMILES CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r| Show InChI InChI=1S/C24H37ClN4O5/c1-4-11-34-24(31)29-9-5-16(6-10-29)14-28-8-7-20(22(15-28)33-3)27-23(30)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,30)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522922 (CHEMBL4514922) Show SMILES ONC(=O)CCc1csc(CCc2cccs2)n1 Show InChI InChI=1S/C12H14N2O2S2/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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	141	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142925 (CHEMBL3758674) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C24H37ClN4O3S/c1-15(2)24(33)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)32-4)27-23(30)17-11-18(25)19(26)12-21(17)31-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522941 (CHEMBL4582980) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-4-1-10(2-5-11)3-8-14-19-12(9-23-14)6-7-13(21)20-22/h1-2,4-5,9,22H,3,6-8H2,(H,20,21)	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	165	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142918 (CHEMBL3759546) Show SMILES CCCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r| Show InChI InChI=1S/C24H37ClN4O4/c1-4-5-23(30)29-10-6-16(7-11-29)14-28-9-8-20(22(15-28)33-3)27-24(31)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,31)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50142904 (CHEMBL3759969) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)OC)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C22H33ClN4O5/c1-30-19-11-17(24)16(23)10-15(19)21(28)25-18-6-7-26(13-20(18)31-2)12-14-4-8-27(9-5-14)22(29)32-3/h10-11,14,18,20H,4-9,12-13,24H2,1-3H3,(H,25,28)/t18-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(H,17,18)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522930 (CHEMBL4591740) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C14H14F2N2O2S/c15-11-4-1-9(7-12(11)16)2-6-14-17-10(8-21-14)3-5-13(19)18-20/h1,4,7-8,20H,2-3,5-6H2,(H,18,19)	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	278	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522925 (CHEMBL4440734) Show SMILES COc1cc(CCc2nc(CCC(=O)NO)cs2)cc(OC)c1OC Show InChI InChI=1S/C17H22N2O5S/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16-18-12(10-25-16)5-6-15(20)19-21/h8-10,21H,4-7H2,1-3H3,(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	292	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522929 (CHEMBL4516093) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)cc2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)	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	296	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522935 (CHEMBL4445910) Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H13BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+	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	309	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair

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