Compile Data Set for Download or QSAR

Found 144 hits Enz. Inhib. hit(s) with all data for entry = 5987   

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))	BDBM50248570 (3-(1-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phen...) Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C25H32N4O2/c1-25(2,17-28(3)4)18-29-22-13-10-20(12-15-24(30)27-31)16-21(22)26-23(29)14-11-19-8-6-5-7-9-19/h5-10,12-13,15-16,31H,11,14,17-18H2,1-4H3,(H,27,30)/b15-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248375 (CHEMBL491688 | N-hydroxy-3-(2-phenethyl-1-(3,4,5-t...) Show SMILES COc1cc(Cn2c(CCc3ccccc3)nc3cc(\C=C\C(=O)NO)ccc23)cc(OC)c1OC Show InChI InChI=1S/C28H29N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,11-12,14-17,33H,10,13,18H2,1-3H3,(H,30,32)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103597 (US8551988, 91) Show SMILES CN(C)CC(C)(C)Cn1c(nc2cc(C=CC(=O)NO)ccc12)S(=O)Cc1ccccc1 |w:14.13| Show InChI InChI=1S/C24H30N4O3S/c1-24(2,16-27(3)4)17-28-21-12-10-18(11-13-22(29)26-30)14-20(21)25-23(28)32(31)15-19-8-6-5-7-9-19/h5-14,30H,15-17H2,1-4H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248522 (CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(pipe...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-3-1-4-8-20)29(23)18-17-28-15-5-2-6-16-28/h1,3-4,7-9,11-12,14,19,31H,2,5-6,10,13,15-18H2,(H,27,30)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103600 (US10201527, Compound 94 | US10736881, Compound 94 ...) Show SMILES COc1cccc(CCc2nc3cc(\C=C\C(=O)NO)ccc3n2CC(C)(C)CN(C)C)c1 Show InChI InChI=1S/C26H34N4O3/c1-26(2,17-29(3)4)18-30-23-12-9-20(11-14-25(31)28-32)16-22(23)27-24(30)13-10-19-7-6-8-21(15-19)33-5/h6-9,11-12,14-16,32H,10,13,17-18H2,1-5H3,(H,28,31)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248476 (CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103590 (US10201527, Compound 84 | US10736881, Compound 84 ...) Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccc(F)cc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C25H31FN4O2/c1-25(2,16-29(3)4)17-30-22-12-7-19(9-14-24(31)28-32)15-21(22)27-23(30)13-8-18-5-10-20(26)11-6-18/h5-7,9-12,14-15,32H,8,13,16-17H2,1-4H3,(H,28,31)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103601 (US8551988, 95) Show SMILES COc1cccc(CCc2nc3ccc(C=CC(=O)NO)cc3[nH]2)c1 |w:15.14| Show InChI InChI=1S/C19H19N3O3/c1-25-15-4-2-3-13(11-15)6-9-18-20-16-8-5-14(12-17(16)21-18)7-10-19(23)22-24/h2-5,7-8,10-12,24H,6,9H2,1H3,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM234 (BDBM456629 | US8551988, 65) Show SMILES Cn1c(Cc2ccccc2)[n+]([O-])c2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H17N3O3/c1-20-15-9-7-14(8-10-17(22)19-23)11-16(15)21(24)18(20)12-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,19,22)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248261 (CHEMBL475145 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(C)Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO Show InChI InChI=1S/C17H23N3O3/c1-12(2)10-16-18-14-11-13(5-7-17(22)19-23)4-6-15(14)20(16)8-3-9-21/h4-7,11-12,21,23H,3,8-10H2,1-2H3,(H,19,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103599 (US10201527, Compound 93 | US10736881, Compound 93 ...) Show SMILES CCn1c(CCCc2c[nH]c3ccccc23)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C23H24N4O2/c1-2-27-21-12-10-16(11-13-23(28)26-29)14-20(21)25-22(27)9-5-6-17-15-24-19-8-4-3-7-18(17)19/h3-4,7-8,10-15,24,29H,2,5-6,9H2,1H3,(H,26,28)/b13-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103589 (US10201527, Compound 83 | US10736881, Compound 83 ...) Show SMILES CN(C)CC(C)(C)Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C26H34N4O2/c1-26(2,18-29(3)4)19-30-23-15-13-21(14-16-25(31)28-32)17-22(23)27-24(30)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,13-17,32H,8,11-12,18-19H2,1-4H3,(H,28,31)/b16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248475 (3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[...) Show SMILES CCN(CC)CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C24H30N4O2/c1-3-27(4-2)16-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-6-5-7-9-19/h5-10,12-13,15,18,30H,3-4,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103566 (US8551988, 54) Show SMILES Oc1ccc(CN=Nc2ccc(ON=O)cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1O |w:7.7| Show InChI InChI=1S/C19H15ClN4O6S/c20-13-2-4-14(5-3-13)23-31(28,29)19-10-15(30-24-27)6-7-16(19)22-21-11-12-1-8-17(25)18(26)9-12/h1-10,23,25-26H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103595 (US10201527, Compound 89 | US10736881, Compound 89 ...) Show SMILES CN(C)CC(C)(C)Cn1c(SCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C24H30N4O2S/c1-24(2,16-27(3)4)17-28-21-12-10-18(11-13-22(29)26-30)14-20(21)25-23(28)31-15-19-8-6-5-7-9-19/h5-14,30H,15-17H2,1-4H3,(H,26,29)/b13-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM235 (US10201527, Compound 60 | US10736881, Compound 60 ...) Show SMILES Cn1c(CNCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H20N4O2/c1-23-17-9-7-14(8-10-19(24)22-25)11-16(17)21-18(23)13-20-12-15-5-3-2-4-6-15/h2-11,20,25H,12-13H2,1H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103602 (US10201527, Compound 96 | US10736881, Compound 96 ...) Show SMILES CCn1c(CCCOc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c1-2-24-19-12-10-16(11-13-21(25)23-26)15-18(19)22-20(24)9-6-14-27-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,26H,2,6,9,14H2,1H3,(H,23,25)/b13-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103542 (US10201527, Compound 12 | US10736881, Compound 12 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H22N4O2/c29-24(27-30)13-10-19-8-11-22-21(15-19)26-23(12-9-18-5-2-1-3-6-18)28(22)17-20-7-4-14-25-16-20/h1-8,10-11,13-16,30H,9,12,17H2,(H,27,29)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103591 (US8551988, 85) Show SMILES ONC(=O)C=Cc1ccc2nc(CCc3ccc(F)cc3)[nH]c2c1 |w:5.5| Show InChI InChI=1S/C18H16FN3O2/c19-14-6-1-12(2-7-14)4-9-17-20-15-8-3-13(11-16(15)21-17)5-10-18(23)22-24/h1-3,5-8,10-11,24H,4,9H2,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM236 (US8551988, 55) Show SMILES CN1C(CNC(=O)c2ccncc2)Nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H19N5O3/c1-23-15-4-2-12(3-5-17(24)22-26)10-14(15)21-16(23)11-20-18(25)13-6-8-19-9-7-13/h2-10,16,21,26H,11H2,1H3,(H,20,25)(H,22,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103543 (US10201527, Compound 13 | US10736881, Compound 13 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccccn1 Show InChI InChI=1S/C18H18N4O3/c23-11-3-10-22-16-7-5-13(6-8-17(24)21-25)12-15(16)20-18(22)14-4-1-2-9-19-14/h1-2,4-9,12,23,25H,3,10-11H2,(H,21,24)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50248315 (3-(2-(benzyloxymethyl)-1-(3-hydroxypropyl)-1H-benz...) Show SMILES OCCCn1c(COCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O4/c25-12-4-11-24-19-9-7-16(8-10-21(26)23-27)13-18(19)22-20(24)15-28-14-17-5-2-1-3-6-17/h1-3,5-10,13,25,27H,4,11-12,14-15H2,(H,23,26)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM240 (US10201527, Compound 69 | US10736881, Compound 69 ...) Show SMILES Cn1c(CNC(=O)Cc2ccc(F)cc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H19FN4O3/c1-25-17-8-4-13(5-9-19(26)24-28)10-16(17)23-18(25)12-22-20(27)11-14-2-6-15(21)7-3-14/h2-10,28H,11-12H2,1H3,(H,22,27)(H,24,26)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM38236 (CHEMBL522269 | US10201527, Compound 48 | US1073688...) Show SMILES Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H19N3O2/c1-22-17-10-7-15(9-12-19(23)21-24)13-16(17)20-18(22)11-8-14-5-3-2-4-6-14/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,21,23)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM241 (US8551988, 57) Show SMILES CN(C)CCCCN1C(CCc2ccccc2)Nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C24H32N4O2/c1-27(2)16-6-7-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-4-3-5-9-19/h3-5,8-10,12-13,15,18,23,25,30H,6-7,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM242 (BDBM338946 | US8551988, 41) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCc1cccnc1)c1ccccc1 Show InChI InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM243 (US8551988, 52) Show SMILES CN(CCCCC1=CCCC=C1)c1ccc(\C=C\C(=O)NO)cc1N |c:10,t:6| Show InChI InChI=1S/C20H27N3O2/c1-23(14-6-5-9-16-7-3-2-4-8-16)19-12-10-17(15-18(19)21)11-13-20(24)22-25/h3,7-8,10-13,15,25H,2,4-6,9,14,21H2,1H3,(H,22,24)/b13-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248525 (3-(1-(3-(dimethylamino)propyl)-2-phenethyl-1H-benz...) Show SMILES CN(C)CCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C23H28N4O2/c1-26(2)15-6-16-27-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(27)13-10-18-7-4-3-5-8-18/h3-5,7-9,11-12,14,17,29H,6,10,13,15-16H2,1-2H3,(H,25,28)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248315 (3-(2-(benzyloxymethyl)-1-(3-hydroxypropyl)-1H-benz...) Show SMILES OCCCn1c(COCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O4/c25-12-4-11-24-19-9-7-16(8-10-21(26)23-27)13-18(19)22-20(24)15-28-14-17-5-2-1-3-6-17/h1-3,5-10,13,25,27H,4,11-12,14-15H2,(H,23,26)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103596 (US10201527, Compound 90 | US10736881, Compound 90 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)cnc2c1 Show InChI InChI=1S/C17H22N4O2/c22-17(19-23)7-5-14-4-6-16-15(12-14)18-13-21(16)11-10-20-8-2-1-3-9-20/h4-7,12-13,23H,1-3,8-11H2,(H,19,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM244 (US8551988, 45) Show SMILES COc1cc(CN2C(CCc3ccccc3)Nc3cc(CCC(=O)NO)ccc23)cc(O)c1OC Show InChI InChI=1S/C27H31N3O5/c1-34-24-16-20(15-23(31)27(24)35-2)17-30-22-11-8-19(10-13-26(32)29-33)14-21(22)28-25(30)12-9-18-6-4-3-5-7-18/h3-8,11,14-16,25,28,31,33H,9-10,12-13,17H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM245 (US10201527, Compound 71 | US10736881, Compound 71 ...) Show SMILES CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H22N4O4S/c1-2-24-18-10-8-15(9-11-20(25)23-26)14-17(18)22-19(24)12-13-21-29(27,28)16-6-4-3-5-7-16/h3-11,14,21,26H,2,12-13H2,1H3,(H,23,25)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103598 (US10201527, Compound 92 | US10736881, Compound 92 ...) Show SMILES CCn1c(Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H19N3O2/c1-2-22-17-10-8-15(9-11-19(23)21-24)12-16(17)20-18(22)13-14-6-4-3-5-7-14/h3-12,24H,2,13H2,1H3,(H,21,23)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248316 (CHEMBL515906 | N-hydroxy-3-(2-phenethyl-1H-benzo[d...) Show SMILES ONC(=O)C=Cc1ccc2nc(CCc3ccccc3)[nH]c2c1 |w:5.5| Show InChI InChI=1S/C18H17N3O2/c22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13/h1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50247927 (CHEMBL489706 | N-hydroxy-3-(2-phenethyl-1-(pyridin...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccn3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H22N4O2/c29-24(27-30)14-11-19-9-12-22-21(16-19)26-23(13-10-18-6-2-1-3-7-18)28(22)17-20-8-4-5-15-25-20/h1-9,11-12,14-16,30H,10,13,17H2,(H,27,29)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248473 (CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM242 (BDBM338946 | US8551988, 41) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCc1cccnc1)c1ccccc1 Show InChI InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM645 (US10201527, Compound 61 | US10736881, Compound 61 ...) Show SMILES Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C26H26N4O2/c1-29-24-14-12-20(13-15-26(31)28-32)16-23(24)27-25(29)19-30(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-16,32H,17-19H2,1H3,(H,28,31)/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM38234 (US10201527, Compound 49 | US10736881, Compound 49 ...) Show SMILES Cn1cnc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C11H11N3O2/c1-14-7-12-9-6-8(2-4-10(9)14)3-5-11(15)13-16/h2-7,16H,1H3,(H,13,15)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103542 (US10201527, Compound 12 | US10736881, Compound 12 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H22N4O2/c29-24(27-30)13-10-19-8-11-22-21(15-19)26-23(12-9-18-5-2-1-3-6-18)28(22)17-20-7-4-14-25-16-20/h1-8,10-11,13-16,30H,9,12,17H2,(H,27,29)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50248258 (3-(2-cyclohexyl-1-(3-hydroxypropyl)-1H-benzo[d]imi...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CCCCC1 Show InChI InChI=1S/C19H25N3O3/c23-12-4-11-22-17-9-7-14(8-10-18(24)21-25)13-16(17)20-19(22)15-5-2-1-3-6-15/h7-10,13,15,23,25H,1-6,11-12H2,(H,21,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103548 (US10201527, Compound 28 | US10736881, Compound 28 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(COCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O3/c30-25(28-31)11-9-19-8-10-23-22(15-19)27-24(18-32-17-21-5-2-1-3-6-21)29(23)14-12-20-7-4-13-26-16-20/h1-11,13,15-16,31H,12,14,17-18H2,(H,28,30)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248432 (CHEMBL521909 | N-hydroxy-3-(1-(3-methoxypropyl)-2-...) Show SMILES COCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C22H25N3O3/c1-28-15-5-14-25-20-11-8-18(10-13-22(26)24-27)16-19(20)23-21(25)12-9-17-6-3-2-4-7-17/h2-4,6-8,10-11,13,16,27H,5,9,12,14-15H2,1H3,(H,24,26)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair

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