Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'saville-stones' and Initial = 'ea'   

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
Histidinol dehydrogenase, chloroplastic (Brassica oleracea var. capitata)	BDBM50267976 ((S)-3-Amino-1-biphenyl-4-yl-4-(1H-imidazol-4-yl)-b...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O/c20-18(11-17-12-21-13-22-17)19(23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,20H2,(H,21,22)/t18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry				Bioorg Med Chem Lett 6: 2131-2136 (1996) Article DOI: 10.1016/0960-894X(96)00384-8 BindingDB Entry DOI: 10.7270/Q2D79BC7
					More data for this Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic (Brassica oleracea var. capitata)	BDBM50267975 ((S)-3-Amino-1-(4-bromo-phenyl)-4-(1H-imidazol-4-yl...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Br)cc1 |r| Show InChI InChI=1S/C13H14BrN3O/c14-10-3-1-9(2-4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,15H2,(H,16,17)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry				Bioorg Med Chem Lett 6: 2131-2136 (1996) Article DOI: 10.1016/0960-894X(96)00384-8 BindingDB Entry DOI: 10.7270/Q2D79BC7
					More data for this Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic (Brassica oleracea var. capitata)	BDBM50287735 ((S)-3-Amino-1-(3-amino-phenyl)-4-(1H-imidazol-4-yl...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc(N)c1 |r| Show InChI InChI=1S/C13H16N4O/c14-10-3-1-2-9(4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,14-15H2,(H,16,17)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry				Bioorg Med Chem Lett 6: 2131-2136 (1996) Article DOI: 10.1016/0960-894X(96)00384-8 BindingDB Entry DOI: 10.7270/Q2D79BC7
					More data for this Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic (Brassica oleracea var. capitata)	BDBM50267972 ((S)-3-Amino-4-(1H-imidazol-4-yl)-1-phenyl-butan-2-...) Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C13H15N3O/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,15,16)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry				Bioorg Med Chem Lett 6: 2131-2136 (1996) Article DOI: 10.1016/0960-894X(96)00384-8 BindingDB Entry DOI: 10.7270/Q2D79BC7
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243152 (D1: N-((R)-1-((abs)-3- (Difluoromethoxy)piperidin-...) Show SMILES C[C@H](CN1CCCC(C1)OC(F)F)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F5N4O3/c1-11(9-28-8-2-3-14(10-28)30-18(20)21)25-16(29)13-6-4-12(5-7-13)15-26-17(31-27-15)19(22,23)24/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,25,29)/t11-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228164 (US10047073, 6 | US10047073, 7) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC2C2CC2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)19-25-17(27-30-19)14-5-7-15(8-6-14)18(29)26-20(9-10-20)12-28-11-1-2-16(28)13-3-4-13/h5-8,13,16H,1-4,9-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243173 ((R)-N-(1-(5-Azaspiro[2.5]octan-5- yl)propan-2-yl)-...) Show SMILES C[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243192 (N-((2R)-1-(3-Azabicyclo[3.2.0]heptan- 3-yl)propan-...) Show SMILES C[C@H](CN1CC2CCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N4O2/c1-11(8-26-9-14-6-7-15(14)10-26)23-17(27)13-4-2-12(3-5-13)16-24-18(28-25-16)19(20,21)22/h2-5,11,14-15H,6-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243193 (D1: N-((R)-1-((abs-1,5-cis)-6- Azabicyclo[3.2.0]he...) Show SMILES C[C@H](CN1CC2CCCC12)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N4O2/c1-11(9-26-10-14-3-2-4-15(14)26)23-17(27)13-7-5-12(6-8-13)16-24-18(28-25-16)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243189 ((R)-N-(1-(3,4-dihydro-2,7-naphthyridin- 2(1H)-yl)p...) Show SMILES C[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243183 (N-((R)-1-(3-Azabicyclo[3.2.1]octan-3- yl)propan-2-...) Show SMILES C[C@H](CN1CC2CCC(C2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N4O2/c1-12(9-27-10-13-2-3-14(8-13)11-27)24-18(28)16-6-4-15(5-7-16)17-25-19(29-26-17)20(21,22)23/h4-7,12-14H,2-3,8-11H2,1H3,(H,24,28)/t12-,13?,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228164 (US10047073, 6 | US10047073, 7) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC2C2CC2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)19-25-17(27-30-19)14-5-7-15(8-6-14)18(29)26-20(9-10-20)12-28-11-1-2-16(28)13-3-4-13/h5-8,13,16H,1-4,9-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243091 (N-((2R)-1-(3-Azabicyclo[3.1.0]hexan-3- yl)propan-2...) Show SMILES C[C@H](CN1CC2CC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H19F3N4O2/c1-10(7-25-8-13-6-14(13)9-25)22-16(26)12-4-2-11(3-5-12)15-23-17(27-24-15)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3,(H,22,26)/t10-,13?,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243180 ((R)-N-(1-(5-Azaspiro[2.4]heptan-5- yl)propan-2-yl)...) Show SMILES C[C@H](CN1CCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N4O2/c1-12(10-26-9-8-18(11-26)6-7-18)23-16(27)14-4-2-13(3-5-14)15-24-17(28-25-15)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243121 ((R)-N-(1-(3,4-Dihydroisoquinolin- 2(1H)-yl)propan-...) Show SMILES C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(12-29-11-10-15-4-2-3-5-18(15)13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,30)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243202 ((2S)-1-((R)-2-(3-Fluoro-4-(5- (trifluoromethyl)-1,...) Show SMILES C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H20F4N4O2/c1-10(9-26-7-3-4-11(26)2)23-16(27)12-5-6-13(14(19)8-12)15-24-17(28-25-15)18(20,21)22/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,23,27)/p+1/t10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293911 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...) Show SMILES Cc1ncccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8| Show InChI InChI=1S/C19H19FN2O2/c1-12-16(6-3-7-17(12)20)19(18(23)22-24)9-8-14(11-19)15-5-4-10-21-13(15)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293912 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293914 ((S)-3-(Benzo[d]thiazol-5- yl)-1-(3-fluoro-2- methy...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2scnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C20H17FN2O2S/c1-12-15(3-2-4-16(12)21)20(19(24)23-25)8-7-14(10-20)13-5-6-18-17(9-13)22-11-26-18/h2-6,9-11,25H,7-8H2,1H3,(H,23,24)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293916 ((S)-1-(3,4-Difluoro-2- methylphenyl)-N- hydroxy-3-...) Show SMILES Cc1c(F)c(F)ccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:13| Show InChI InChI=1S/C21H19F2N3O2/c1-12-16(5-6-17(22)19(12)23)21(20(27)25-28)8-7-14(10-21)13-3-4-15-11-24-26(2)18(15)9-13/h3-6,9-11,28H,7-8H2,1-2H3,(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293880 ((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(F)c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C18H16F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293886 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nccnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H18FN3O2/c1-13-16(3-2-4-17(13)22)21(20(26)25-27)8-7-15(12-21)14-5-6-18-19(11-14)24-10-9-23-18/h2-6,9-12,27H,7-8H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293895 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(imi...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccn2ccnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C20H18FN3O2/c1-13-16(3-2-4-17(13)21)20(19(25)23-26)7-5-15(12-20)14-6-9-24-10-8-22-18(24)11-14/h2-4,6,8-12,26H,5,7H2,1H3,(H,23,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293899 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...) Show SMILES Cc1ccc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8| Show InChI InChI=1S/C19H19FN2O2/c1-12-6-7-15(11-21-12)14-8-9-19(10-14,18(23)22-24)16-4-3-5-17(20)13(16)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293900 ((S)-3-(5-Chloro-6- methylpyridin-3-yl)-1-(3- fluor...) Show SMILES Cc1ncc(cc1Cl)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:9| Show InChI InChI=1S/C19H18ClFN2O2/c1-11-15(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)14-8-16(20)12(2)22-10-14/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description 2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...				US Patent US9617259 (2017) BindingDB Entry DOI: 10.7270/Q2DN4743
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293880 ((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(F)c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C18H16F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293886 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nccnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H18FN3O2/c1-13-16(3-2-4-17(13)22)21(20(26)25-27)8-7-15(12-21)14-5-6-18-19(11-14)24-10-9-23-18/h2-6,9-12,27H,7-8H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293895 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(imi...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccn2ccnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C20H18FN3O2/c1-13-16(3-2-4-17(13)21)20(19(25)23-26)7-5-15(12-20)14-6-9-24-10-8-22-18(24)11-14/h2-4,6,8-12,26H,5,7H2,1H3,(H,23,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293899 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...) Show SMILES Cc1ccc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8| Show InChI InChI=1S/C19H19FN2O2/c1-12-6-7-15(11-21-12)14-8-9-19(10-14,18(23)22-24)16-4-3-5-17(20)13(16)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293900 ((S)-3-(5-Chloro-6- methylpyridin-3-yl)-1-(3- fluor...) Show SMILES Cc1ncc(cc1Cl)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:9| Show InChI InChI=1S/C19H18ClFN2O2/c1-11-15(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)14-8-16(20)12(2)22-10-14/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293911 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...) Show SMILES Cc1ncccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8| Show InChI InChI=1S/C19H19FN2O2/c1-12-16(6-3-7-17(12)20)19(18(23)22-24)9-8-14(11-19)15-5-4-10-21-13(15)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293912 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293914 ((S)-3-(Benzo[d]thiazol-5- yl)-1-(3-fluoro-2- methy...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2scnc2c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C20H17FN2O2S/c1-12-15(3-2-4-16(12)21)20(19(24)23-25)8-7-14(10-20)13-5-6-18-17(9-13)22-11-26-18/h2-6,9-11,25H,7-8H2,1H3,(H,23,24)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293916 ((S)-1-(3,4-Difluoro-2- methylphenyl)-N- hydroxy-3-...) Show SMILES Cc1c(F)c(F)ccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:13| Show InChI InChI=1S/C21H19F2N3O2/c1-12-16(5-6-17(22)19(12)23)21(20(27)25-28)8-7-14(10-21)13-3-4-15-11-24-26(2)18(15)9-13/h3-6,9-11,28H,7-8H2,1-2H3,(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...				US Patent US10106535 (2018) BindingDB Entry DOI: 10.7270/Q2F47R6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243178 ((R)-N-(1-(Azepan-1-yl)propan-2-yl)-4- (5-(trifluor...) Show SMILES C[C@H](CN1CCCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272075 ((S)-1-(2,6-Difluorophenyl)-5-(3-fluoro-2- methylph...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1F)C(=O)NO |r,wU:8.27,(-1.7,-2.72,;-.37,-3.49,;-.37,-5.03,;-1.7,-5.8,;.96,-5.8,;2.3,-5.03,;2.3,-3.49,;.96,-2.72,;.96,-1.18,;-.28,-2.09,;-1.53,-1.18,;-3.07,-1.18,;-3.54,.28,;-2.3,1.18,;-1.05,.28,;.49,.28,;-2.3,2.72,;-3.63,3.49,;-4.97,2.72,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,)| Show InChI InChI=1S/C20H16F3N3O2/c1-11-13(4-2-5-14(11)21)20(19(27)25-28)8-12-10-24-26(17(12)9-20)18-15(22)6-3-7-16(18)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272075 ((S)-1-(2,6-Difluorophenyl)-5-(3-fluoro-2- methylph...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1F)C(=O)NO |r,wU:8.27,(-1.7,-2.72,;-.37,-3.49,;-.37,-5.03,;-1.7,-5.8,;.96,-5.8,;2.3,-5.03,;2.3,-3.49,;.96,-2.72,;.96,-1.18,;-.28,-2.09,;-1.53,-1.18,;-3.07,-1.18,;-3.54,.28,;-2.3,1.18,;-1.05,.28,;.49,.28,;-2.3,2.72,;-3.63,3.49,;-4.97,2.72,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,)| Show InChI InChI=1S/C20H16F3N3O2/c1-11-13(4-2-5-14(11)21)20(19(27)25-28)8-12-10-24-26(17(12)9-20)18-15(22)6-3-7-16(18)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243187 (2-((R)-2-(4-(5-(Trifluoromethyl)-1,2,4- oxadiazol-...) Show SMILES C[C@H](C[NH+]1CC2CCCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N4O2/c1-12(9-27-10-15-3-2-4-16(15)11-27)24-18(28)14-7-5-13(6-8-14)17-25-19(29-26-17)20(21,22)23/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,24,28)/p+1/t12-,15?,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243123 ((R)-N-(1-(3-Phenylazetidin-1-yl)propan- 2-yl)-4-(5...) Show SMILES C[C@H](CN1CC(C1)c1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(11-29-12-18(13-29)15-5-3-2-4-6-15)26-20(30)17-9-7-16(8-10-17)19-27-21(31-28-19)22(23,24)25/h2-10,14,18H,11-13H2,1H3,(H,26,30)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272071 ((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO |r| Show InChI InChI=1S/C20H17ClFN3O2/c1-12-14(5-4-7-16(12)22)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-15(17)21/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272078 ((S)-1-(2-Chloro-6-fluorophenyl)-5-(3-fluoro-2- met...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1Cl)C(=O)NO |r,wD:8.8,(-.17,-3.49,;1.37,-3.49,;2.14,-4.83,;1.37,-6.16,;3.68,-4.83,;4.45,-3.49,;3.68,-2.16,;2.14,-2.16,;1.37,-.83,;.12,-1.73,;-1.13,-.83,;-2.67,-.83,;-3.14,.64,;-1.9,1.54,;-.65,.64,;.89,.64,;-1.9,3.08,;-.56,3.85,;.77,3.08,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-4.56,3.08,;2.77,-.2,;4.02,-1.11,;2.93,1.33,;4.56,2.27,)| Show InChI InChI=1S/C20H16ClF2N3O2/c1-11-13(4-2-6-15(11)22)20(19(27)25-28)8-12-10-24-26(17(12)9-20)18-14(21)5-3-7-16(18)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272071 ((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO |r| Show InChI InChI=1S/C20H17ClFN3O2/c1-12-14(5-4-7-16(12)22)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-15(17)21/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272078 ((S)-1-(2-Chloro-6-fluorophenyl)-5-(3-fluoro-2- met...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1Cl)C(=O)NO |r,wD:8.8,(-.17,-3.49,;1.37,-3.49,;2.14,-4.83,;1.37,-6.16,;3.68,-4.83,;4.45,-3.49,;3.68,-2.16,;2.14,-2.16,;1.37,-.83,;.12,-1.73,;-1.13,-.83,;-2.67,-.83,;-3.14,.64,;-1.9,1.54,;-.65,.64,;.89,.64,;-1.9,3.08,;-.56,3.85,;.77,3.08,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-4.56,3.08,;2.77,-.2,;4.02,-1.11,;2.93,1.33,;4.56,2.27,)| Show InChI InChI=1S/C20H16ClF2N3O2/c1-11-13(4-2-6-15(11)22)20(19(27)25-28)8-12-10-24-26(17(12)9-20)18-14(21)5-3-7-16(18)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 4 [648-1032] (Homo sapiens (Human))	BDBM243179 ((R)-N-(1-(1-Azaspiro[3.3]heptan-1- yl)propan-2-yl)...) Show SMILES C[C@H](CN1CCC11CCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N4O2/c1-12(11-26-10-9-18(26)7-2-8-18)23-16(27)14-5-3-13(4-6-14)15-24-17(28-25-15)19(20,21)22/h3-6,12H,2,7-11H2,1H3,(H,23,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC. US Patent					Assay Description 5 μL of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or th...				US Patent US10053434 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RJZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272067 ((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r| Show InChI InChI=1S/C20H17F2N3O2/c1-12-14(5-4-7-15(12)21)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-16(17)22/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272074 ((S)-1-(3-Chloro-2-fluorophenyl)-5-(3-fluoro-2- met...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(Cl)c1F)C(=O)NO |r| Show InChI InChI=1S/C20H16ClF2N3O2/c1-11-13(4-2-6-15(11)22)20(19(27)25-28)8-12-10-24-26(17(12)9-20)16-7-3-5-14(21)18(16)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272067 ((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r| Show InChI InChI=1S/C20H17F2N3O2/c1-12-14(5-4-7-15(12)21)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-16(17)22/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272074 ((S)-1-(3-Chloro-2-fluorophenyl)-5-(3-fluoro-2- met...) Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(Cl)c1F)C(=O)NO |r| Show InChI InChI=1S/C20H16ClF2N3O2/c1-11-13(4-2-6-15(11)22)20(19(27)25-28)8-12-10-24-26(17(12)9-20)16-7-3-5-14(21)18(16)23/h2-7,10,28H,8-9H2,1H3,(H,25,27)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272079 ((S)-5-(3-Fluoro-2-methylphenyl)-1-(2-fluoro-6- met...) Show SMILES Cc1cccc(F)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)| Show InChI InChI=1S/C21H19F2N3O2/c1-12-5-3-8-17(23)19(12)26-18-10-21(20(27)25-28,9-14(18)11-24-26)15-6-4-7-16(22)13(15)2/h3-8,11,28H,9-10H2,1-2H3,(H,25,27)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM272079 ((S)-5-(3-Fluoro-2-methylphenyl)-1-(2-fluoro-6- met...) Show SMILES Cc1cccc(F)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)| Show InChI InChI=1S/C21H19F2N3O2/c1-12-5-3-8-17(23)19(12)26-18-10-21(20(27)25-28,9-14(18)11-24-26)15-6-4-7-16(22)13(15)2/h3-8,11,28H,9-10H2,1-2H3,(H,25,27)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Foundation, Inc. US Patent					Assay Description The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...				US Patent US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					More data for this Ligand-Target Pair

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