Compile Data Set for Download or QSAR

Found 624 hits with Last Name = 'bürli' and Initial = 'rw'   

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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50243125 (CHEMBL487864 | N3-(6-acetamidopyridin-3-yl)-4-meth...) Show SMILES CC(=O)Nc1ccc(NC(=O)c2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C23H19F3N4O3/c1-13-6-7-15(21(32)29-17-5-3-4-16(11-17)23(24,25)26)10-19(13)22(33)30-18-8-9-20(27-12-18)28-14(2)31/h3-12H,1-2H3,(H,29,32)(H,30,33)(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50251959 (2-(2-(2-(4-tert-butylbenzylsulfonyl)acetamido)-3-h...) Show SMILES CC(C)(C)c1ccc(CS(=O)(=O)CC(=O)N=c2scc(CC(O)=O)n2O)cc1 |w:15.14| Show InChI InChI=1S/C18H22N2O6S2/c1-18(2,3)13-6-4-12(5-7-13)10-28(25,26)11-15(21)19-17-20(24)14(9-27-17)8-16(22)23/h4-7,9,24H,8,10-11H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human PHD2 assesssed as hydroxylation of Pro564 in human HIF-1alpha by TR-FRET assay				Bioorg Med Chem Lett 18: 3925-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.031 BindingDB Entry DOI: 10.7270/Q2XW4JM5
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50264220 (2-(1,6-diphenyl-1H-imidazo[4,5-c]pyridine-4-carbox...) Show SMILES OC(=O)CNC(=O)c1nc(cc2n(cnc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H16N4O3/c26-18(27)12-22-21(28)20-19-17(11-16(24-20)14-7-3-1-4-8-14)25(13-23-19)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,22,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis				Bioorg Med Chem Lett 18: 5023-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.012 BindingDB Entry DOI: 10.7270/Q2ZS2WB7
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM26365 (3-N-(2-aminopyrimidin-5-yl)-4-methyl-1-N-[3-(trifl...) Show SMILES Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H16F3N5O2/c1-11-5-6-12(7-16(11)18(30)28-15-9-25-19(24)26-10-15)17(29)27-14-4-2-3-13(8-14)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50243076 (CHEMBL470483 | N3-(6-aminopyridin-3-yl)-4-methyl-N...) Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(9-17(12)20(30)28-16-7-8-18(25)26-11-16)19(29)27-15-4-2-3-14(10-15)21(22,23)24/h2-11H,1H3,(H2,25,26)(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50243181 (CHEMBL520718 | N3-(6-aminopyridin-3-yl)-N1-(3-cycl...) Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCCC1CCCCC1 Show InChI InChI=1S/C23H30N4O2/c1-16-9-10-18(22(28)25-13-5-8-17-6-3-2-4-7-17)14-20(16)23(29)27-19-11-12-21(24)26-15-19/h9-12,14-15,17H,2-8,13H2,1H3,(H2,24,26)(H,25,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					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))	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))	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))	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 (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 [648-729,745-1057] (Homo sapiens (Human))	BDBM50160879 (CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	25
CHDI Foundation, Inc. US Patent					Assay Description The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...				US Patent US9505736 (2016) BindingDB Entry DOI: 10.7270/Q2T152KR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50251958 (2-(2-(2-(benzylsulfonyl)acetamido)-3-hydroxy-2,3-d...) Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccccc2)n1O |w:8.8| Show InChI InChI=1S/C14H14N2O6S2/c17-12(9-24(21,22)8-10-4-2-1-3-5-10)15-14-16(20)11(7-23-14)6-13(18)19/h1-5,7,20H,6,8-9H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human PHD2 assesssed as hydroxylation of Pro564 in human HIF-1alpha by TR-FRET assay				Bioorg Med Chem Lett 18: 3925-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.031 BindingDB Entry DOI: 10.7270/Q2XW4JM5
					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 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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM26373 (4-methyl-3-N-(pyrimidin-5-yl)-1-N-[3-(trifluoromet...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1 Show InChI InChI=1S/C20H15F3N4O2/c1-12-5-6-15(8-17(12)19(29)27-16-9-24-11-25-10-16)26-18(28)13-3-2-4-14(7-13)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					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 US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					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 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 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 US10065948 (2018) BindingDB Entry DOI: 10.7270/Q2154K23
					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 US10457675 (2019) BindingDB Entry DOI: 10.7270/Q22J6F7J
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50243075 (4-methyl-N3-(pyridin-3-yl)-N1-(3-(trifluoromethyl)...) Show SMILES Cc1ccc(cc1C(=O)Nc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N3O2/c1-13-7-8-14(10-18(13)20(29)27-17-6-3-9-25-12-17)19(28)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of c-kit (unknown origin)				Bioorg Med Chem Lett 18: 4137-41 (2008) Article DOI: 10.1016/j.bmcl.2008.05.089 BindingDB Entry DOI: 10.7270/Q20001WP
					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
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 4 (Homo sapiens (Human))	BDBM293915 ((S)-3-(Benzo[b]thiophen- 2-yl)-1-(3-fluoro-2- meth...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cc2ccccc2s1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H18FNO2S/c1-13-16(6-4-7-17(13)22)21(20(24)23-25)10-9-15(12-21)19-11-14-5-2-3-8-18(14)26-19/h2-8,11-12,25H,9-10H2,1H3,(H,23,24)/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	20	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))	BDBM293910 ((S)-3-(5-Chloro-2- methylpyridin-3-yl)-1-(3- fluor...) Show SMILES Cc1ncc(Cl)cc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:9| Show InChI InChI=1S/C19H18ClFN2O2/c1-11-16(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)15-8-14(20)10-22-12(15)2/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	20	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))	BDBM340863 (US9765054, Compound 39A) Show SMILES CC(C)c1nc2ccc(cc2o1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO Show InChI InChI=1S/C20H20N2O3/c1-11(2)20-21-14-9-8-13(10-15(14)25-20)17-16(18(17)19(23)22-24)12-6-4-3-5-7-12/h3-11,16-18,24H,1-2H3,(H,22,23)/t16-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 US9765054 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MZG
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446476 (CHEMBL3109993 | US9765054, Compound 28B) Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 US9765054 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MZG
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446474 (CHEMBL3109980 | US9765054, Compound 25e) Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cc(Cl)c2OCCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H16ClNO4/c19-12-8-11(9-13-17(12)24-7-6-23-13)15-14(16(15)18(21)20-22)10-4-2-1-3-5-10/h1-5,8-9,14-16,22H,6-7H2,(H,20,21)/t14-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 US9765054 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MZG
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM340962 (US9765054, Compound 100b) Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1cccc(F)c1 Show InChI InChI=1S/C18H17FN2O2/c19-13-3-1-2-11(8-13)15-16(17(15)18(22)21-23)12-6-7-20-14(9-12)10-4-5-10/h1-3,6-10,15-17,23H,4-5H2,(H,21,22)/t15-,16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 US9765054 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MZG
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM293915 ((S)-3-(Benzo[b]thiophen- 2-yl)-1-(3-fluoro-2- meth...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cc2ccccc2s1)C(=O)NO |r,c:12| Show InChI InChI=1S/C21H18FNO2S/c1-13-16(6-4-7-17(13)22)21(20(24)23-25)10-9-15(12-21)19-11-14-5-2-3-8-18(14)26-19/h2-8,11-12,25H,9-10H2,1H3,(H,23,24)/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	20	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))	BDBM293876 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3- phe...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccccc1)C(=O)NO |r,c:12| Show InChI InChI=1S/C19H18FNO2/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)14-6-3-2-4-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,22)/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	20	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))	BDBM293878 ((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(o- ...) Show SMILES Cc1ccccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8| Show InChI InChI=1S/C20H20FNO2/c1-13-6-3-4-7-16(13)15-10-11-20(12-15,19(23)22-24)17-8-5-9-18(21)14(17)2/h3-9,12,24H,10-11H2,1-2H3,(H,22,23)/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	20	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))	BDBM293885 ((S)-3-(5-Chloropyridin-3- yl)-1-(3-fluoro-2- methy...) Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(Cl)c1)C(=O)NO |r,c:12| Show InChI InChI=1S/C18H16ClFN2O2/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	20	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

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