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Compile Data Set for Download or QSAR

Found 528 hits with Last Name = 'bürli' and Initial = 'rw'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50243125
PNG
(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)
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n/an/a 2n/an/an/an/an/an/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))
BDBM50264220
PNG
(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)
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n/an/a 3n/an/an/an/an/an/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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50251959
PNG
(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)
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n/an/a 3n/an/an/an/an/an/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM26365
PNG
(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)
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n/an/a 5n/an/an/an/an/an/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
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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
PNG
(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)
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n/an/a 9n/an/an/an/an/an/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 (HDAC4)


(Homo sapiens (Human))
BDBM50160879
PNG
(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=1/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+/s2
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n/an/a 10n/an/an/an/a8.025



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
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293880
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293886
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293895
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293899
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293900
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293911
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293912
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293914
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293916
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293880
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293886
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293895
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293899
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293900
PNG
((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|
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CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293911
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293912
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293914
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293916
PNG
((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|
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




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
PNG
(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)
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n/an/a 11n/an/an/an/an/an/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
PNG
((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,)|
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n/an/a 12n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM26373
PNG
(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)
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n/an/a 14n/an/an/an/an/an/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
PNG
((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO |r|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272078
PNG
((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,)|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272074
PNG
((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|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50243075
PNG
(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)
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n/an/a 18n/an/an/an/an/an/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
PNG
((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,)|
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n/an/a 19n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257503
PNG
(US9505736, (1S,2S,3S)-1-Fluoro-N-hydroxy-2-(4-(5- ...)
Show SMILES Cc1cnc(nc1)-c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[C@@]1(F)C(=O)NO |r|
Show InChI InChI=1/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/s2
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n/an/a 20n/an/an/an/a8.025



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
Histone deacetylase 4 (HDAC4)


(Homo sapiens (Human))
BDBM257508
PNG
(US9505736, (1S,2S,3S)-2-(4-(2-Cyclopropyloxazol- 5...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1 |r|
Show InChI InChI=1/C22H19FN2O3/c23-22(21(26)25-27)18(14-4-2-1-3-5-14)19(22)15-8-6-13(7-9-15)17-12-24-20(28-17)16-10-11-16/h1-9,12,16,18-19,27H,10-11H2,(H,25,26)/t18-,19-,22+/s2
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n/an/a 20n/an/an/an/a8.025



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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293876
PNG
((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|
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n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293878
PNG
((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|
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n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293885
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293890
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc(nc1)C(F)(F)F)C(=O)NO |r,c:12|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293892
PNG
((S)-3-(1-(Difluoromethyl)- 1H-pyrazol-4-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(c1)C(F)F)C(=O)NO |r,c:12|
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n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293898
PNG
((S)-3-(2- Cyclopropylpyrimidin-5- yl)-1-(3-fluoro-...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnc(nc1)C1CC1)C(=O)NO |r,c:12|
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n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293901
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccnn1C)C(=O)NO |r,c:12|
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n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293902
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-(...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(CC(F)(F)F)c1)C(=O)NO |r,c:12|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293910
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293915
PNG
((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|
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CHDI FOUNDATION, INC.

US Patent




US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293876
PNG
((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|
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293878
PNG
((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|
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n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293885
PNG
((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|
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CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293890
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc(nc1)C(F)(F)F)C(=O)NO |r,c:12|
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CHDI Foundation, Inc.

US Patent




US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
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