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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50033886   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353260
PNG
(CHEMBL1830534)
Show SMILES CCCCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC
Show InChI InChI=1S/C21H32N4O2/c1-3-4-5-6-7-8-9-20-23-18-16-17(11-13-21(26)24-27)10-12-19(18)25(20)15-14-22-2/h10-13,16,22,27H,3-9,14-15H2,1-2H3,(H,24,26)/b13-11+
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n/an/a 15n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353261
PNG
(CHEMBL1830535)
Show SMILES CCCCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN
Show InChI InChI=1S/C20H30N4O2/c1-2-3-4-5-6-7-8-19-22-17-15-16(10-12-20(25)23-26)9-11-18(17)24(19)14-13-21/h9-12,15,26H,2-8,13-14,21H2,1H3,(H,23,25)/b12-10+
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n/an/a 22n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248522
PNG
(CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(pipe...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-3-1-4-8-20)29(23)18-17-28-15-5-2-6-16-28/h1,3-4,7-9,11-12,14,19,31H,2,5-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 23n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353263
PNG
(CHEMBL1830540)
Show SMILES CCNCCn1c(CC(C)CC(C)(C)C)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C22H34N4O2/c1-6-23-11-12-26-19-9-7-17(8-10-21(27)25-28)14-18(19)24-20(26)13-16(2)15-22(3,4)5/h7-10,14,16,23,28H,6,11-13,15H2,1-5H3,(H,25,27)/b10-8+
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n/an/a 23n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353254
PNG
(CHEMBL1830418)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNCC
Show InChI InChI=1S/C19H28N4O2/c1-3-5-6-7-18-21-16-14-15(9-11-19(24)22-25)8-10-17(16)23(18)13-12-20-4-2/h8-11,14,20,25H,3-7,12-13H2,1-2H3,(H,22,24)/b11-9+
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n/an/a 27n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353259
PNG
(CHEMBL1830533)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC
Show InChI InChI=1S/C19H28N4O2/c1-3-4-5-6-7-18-21-16-14-15(9-11-19(24)22-25)8-10-17(16)23(18)13-12-20-2/h8-11,14,20,25H,3-7,12-13H2,1-2H3,(H,22,24)/b11-9+
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n/an/a 29n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353264
PNG
(CHEMBL1830541)
Show SMILES CCN(CC)CCn1c(CC2CC3CCC2C3)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H34N4O2/c1-3-27(4-2)11-12-28-22-9-6-17(7-10-24(29)26-30)15-21(22)25-23(28)16-20-14-18-5-8-19(20)13-18/h6-7,9-10,15,18-20,30H,3-5,8,11-14,16H2,1-2H3,(H,26,29)/b10-7+
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n/an/a 32n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353262
PNG
(CHEMBL1830539)
Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C)CC(C)(C)C
Show InChI InChI=1S/C25H40N4O2/c1-18(15-24(2,3)4)13-22-26-20-14-19(10-12-23(30)27-31)9-11-21(20)29(22)17-25(5,6)16-28(7)8/h9-12,14,18,31H,13,15-17H2,1-8H3,(H,27,30)/b12-10+
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n/an/a 37n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353255
PNG
(CHEMBL1830419)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)CC
Show InChI InChI=1S/C20H30N4O2/c1-4-6-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(3)5-2/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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n/an/a 41n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353258
PNG
(CHEMBL1830532)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC
Show InChI InChI=1S/C18H26N4O2/c1-3-4-5-6-17-20-15-13-14(8-10-18(23)21-24)7-9-16(15)22(17)12-11-19-2/h7-10,13,19,24H,3-6,11-12H2,1-2H3,(H,21,23)/b10-8+
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n/an/a 41n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353243
PNG
(CHEMBL1830405)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCNC1
Show InChI InChI=1S/C20H28N4O2/c1-2-3-4-5-6-19-22-17-13-15(8-10-20(25)23-26)7-9-18(17)24(19)16-11-12-21-14-16/h7-10,13,16,21,26H,2-6,11-12,14H2,1H3,(H,23,25)/b10-8+
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n/an/a 41n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248570
PNG
(3-(1-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phen...)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H32N4O2/c1-25(2,17-28(3)4)18-29-22-13-10-20(12-15-24(30)27-31)16-21(22)26-23(29)14-11-19-8-6-5-7-9-19/h5-10,12-13,15-16,31H,11,14,17-18H2,1-4H3,(H,27,30)/b15-12+
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n/an/a 42n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353250
PNG
(CHEMBL1830414)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC
Show InChI InChI=1S/C22H34N4O2/c1-4-7-8-9-10-21-23-19-17-18(12-14-22(27)24-28)11-13-20(19)26(21)16-15-25(5-2)6-3/h11-14,17,28H,4-10,15-16H2,1-3H3,(H,24,27)/b14-12+
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n/an/a 45n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353256
PNG
(CHEMBL1830421)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C(C)C
Show InChI InChI=1S/C20H30N4O2/c1-5-6-7-19-21-17-14-16(9-11-20(25)22-26)8-10-18(17)24(19)13-12-23(4)15(2)3/h8-11,14-15,26H,5-7,12-13H2,1-4H3,(H,22,25)/b11-9+
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n/an/a 45n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248475
PNG
(3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[...)
Show SMILES CCN(CC)CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N4O2/c1-3-27(4-2)16-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-6-5-7-9-19/h5-10,12-13,15,18,30H,3-4,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
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n/an/a 52n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353270
PNG
(CHEMBL1830538)
Show SMILES CC\C=C/CCc1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C
Show InChI InChI=1S/C23H34N4O2/c1-6-7-8-9-10-21-24-19-15-18(12-14-22(28)25-29)11-13-20(19)27(21)17-23(2,3)16-26(4)5/h7-8,11-15,29H,6,9-10,16-17H2,1-5H3,(H,25,28)/b8-7-,14-12+
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n/an/a 53n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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n/an/a 63n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353269
PNG
(CHEMBL1830403)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCNCC1
Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-18-21-16-13-14(6-8-19(24)22-25)5-7-17(16)23(18)15-9-11-20-12-10-15/h5-8,13,15,20,25H,2-4,9-12H2,1H3,(H,22,24)/b8-6+
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n/an/a 68n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353227
PNG
(CHEMBL3215861)
Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC
Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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n/an/a 77n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353252
PNG
(CHEMBL1830416)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNCC
Show InChI InChI=1S/C18H26N4O2/c1-3-5-6-17-20-15-13-14(8-10-18(23)21-24)7-9-16(15)22(17)12-11-19-4-2/h7-10,13,19,24H,3-6,11-12H2,1-2H3,(H,21,23)/b10-8+
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n/an/a 77n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353267
PNG
(CHEMBL1830413)
Show SMILES NCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CC1c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c22-10-11-25-19-8-6-14(7-9-20(26)24-27)12-18(19)23-21(25)17-13-16(17)15-4-2-1-3-5-15/h1-9,12,16-17,27H,10-11,13,22H2,(H,24,26)/b9-7+
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n/an/a 84n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 90n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353268
PNG
(CHEMBL1828648)
Show SMILES CCN(CC)CCn1c(CC(C)C)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H30N4O2/c1-5-23(6-2)11-12-24-18-9-7-16(8-10-20(25)22-26)14-17(18)21-19(24)13-15(3)4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,22,25)/b10-8+
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n/an/a 92n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353266
PNG
(CHEMBL1830406)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCCNC1
Show InChI InChI=1S/C21H30N4O2/c1-2-3-4-5-8-20-23-18-14-16(10-12-21(26)24-27)9-11-19(18)25(20)17-7-6-13-22-15-17/h9-12,14,17,22,27H,2-8,13,15H2,1H3,(H,24,26)/b12-10+
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n/an/a 105n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353253
PNG
(CHEMBL1830417)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)CC
Show InChI InChI=1S/C19H28N4O2/c1-4-6-7-18-20-16-14-15(9-11-19(24)21-25)8-10-17(16)23(18)13-12-22(3)5-2/h8-11,14,25H,4-7,12-13H2,1-3H3,(H,21,24)/b11-9+
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n/an/a 109n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353241
PNG
(CHEMBL1830402)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCNC1
Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-17-20-15-11-13(6-8-18(23)21-24)5-7-16(15)22(17)14-9-10-19-12-14/h5-8,11,14,19,24H,2-4,9-10,12H2,1H3,(H,21,23)/b8-6+
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n/an/a 110n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353244
PNG
(CHEMBL1830407)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCN(C)C1
Show InChI InChI=1S/C19H26N4O2/c1-3-4-5-18-20-16-12-14(7-9-19(24)21-25)6-8-17(16)23(18)15-10-11-22(2)13-15/h6-9,12,15,25H,3-5,10-11,13H2,1-2H3,(H,21,24)/b9-7+
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n/an/a 125n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353237
PNG
(CHEMBL1830398)
Show SMILES CCN(CC)CCn1c(CC(C)(C)C)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H32N4O2/c1-6-24(7-2)12-13-25-18-10-8-16(9-11-20(26)23-27)14-17(18)22-19(25)15-21(3,4)5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,23,26)/b11-9+
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n/an/a 135n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353265
PNG
(CHEMBL1830393)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C
Show InChI InChI=1S/C21H32N4O2/c1-6-7-8-19-22-17-13-16(10-12-20(26)23-27)9-11-18(17)25(19)15-21(2,3)14-24(4)5/h9-13,27H,6-8,14-15H2,1-5H3,(H,23,26)/b12-10+
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n/an/a 150n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353251
PNG
(CHEMBL1830415)
Show SMILES CCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC
Show InChI InChI=1S/C19H28N4O2/c1-4-7-18-20-16-14-15(9-11-19(24)21-25)8-10-17(16)23(18)13-12-22(5-2)6-3/h8-11,14,25H,4-7,12-13H2,1-3H3,(H,21,24)/b11-9+
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n/an/a 155n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353245
PNG
(CHEMBL1830408)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCCN(C)C1
Show InChI InChI=1S/C21H30N4O2/c1-3-4-5-8-20-22-18-14-16(10-12-21(26)23-27)9-11-19(18)25(20)17-7-6-13-24(2)15-17/h9-12,14,17,27H,3-8,13,15H2,1-2H3,(H,23,26)/b12-10+
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n/an/a 158n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353236
PNG
(CHEMBL1830395)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-6-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
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n/an/a 165n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353248
PNG
(CHEMBL1830411)
Show SMILES CCN(CC)CCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CC1c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-3-28(4-2)14-15-29-23-12-10-18(11-13-24(30)27-31)16-22(23)26-25(29)21-17-20(21)19-8-6-5-7-9-19/h5-13,16,20-21,31H,3-4,14-15,17H2,1-2H3,(H,27,30)/b13-11+
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n/an/a 169n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353249
PNG
(CHEMBL1830412)
Show SMILES CN(C)CCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CC1c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-26(2)12-13-27-21-10-8-16(9-11-22(28)25-29)14-20(21)24-23(27)19-15-18(19)17-6-4-3-5-7-17/h3-11,14,18-19,29H,12-13,15H2,1-2H3,(H,25,28)/b11-9+
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n/an/a 175n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353235
PNG
(CHEMBL1830394)
Show SMILES CC(C)Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C
Show InChI InChI=1S/C21H32N4O2/c1-15(2)11-19-22-17-12-16(8-10-20(26)23-27)7-9-18(17)25(19)14-21(3,4)13-24(5)6/h7-10,12,15,27H,11,13-14H2,1-6H3,(H,23,26)/b10-8+
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n/an/a 175n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353242
PNG
(CHEMBL1830404)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCCNC1
Show InChI InChI=1S/C19H26N4O2/c1-2-3-6-18-21-16-12-14(8-10-19(24)22-25)7-9-17(16)23(18)15-5-4-11-20-13-15/h7-10,12,15,20,25H,2-6,11,13H2,1H3,(H,22,24)/b10-8+
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n/an/a 190n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353246
PNG
(CHEMBL1830409)
Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C
Show InChI InChI=1S/C20H30N4O2/c1-14(2)19-21-16-11-15(8-10-18(25)22-26)7-9-17(16)24(19)13-20(3,4)12-23(5)6/h7-11,14,26H,12-13H2,1-6H3,(H,22,25)/b10-8+
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n/an/a 308n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353257
PNG
(CHEMBL1830423)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C(C)C)C(C)C
Show InChI InChI=1S/C22H34N4O2/c1-6-7-8-21-23-19-15-18(10-12-22(27)24-28)9-11-20(19)26(21)14-13-25(16(2)3)17(4)5/h9-12,15-17,28H,6-8,13-14H2,1-5H3,(H,24,27)/b12-10+
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n/an/a 335n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353247
PNG
(CHEMBL1830410)
Show SMILES CN(C)CC(C)(C)Cn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CCCCC1
Show InChI InChI=1S/C23H34N4O2/c1-23(2,15-26(3)4)16-27-20-12-10-17(11-13-21(28)25-29)14-19(20)24-22(27)18-8-6-5-7-9-18/h10-14,18,29H,5-9,15-16H2,1-4H3,(H,25,28)/b13-11+
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n/an/a 421n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353240
PNG
(CHEMBL1830401)
Show SMILES CCN(CC)CCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCC(C)C
Show InChI InChI=1S/C21H32N4O2/c1-5-24(6-2)13-12-20-22-18-15-17(8-10-21(26)23-27)7-9-19(18)25(20)14-11-16(3)4/h7-10,15-16,27H,5-6,11-14H2,1-4H3,(H,23,26)/b10-8+
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n/an/a 575n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50353239
PNG
(CHEMBL1830400)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCC(C)C
Show InChI InChI=1S/C19H27N3O2/c1-4-5-6-18-20-16-13-15(8-10-19(23)21-24)7-9-17(16)22(18)12-11-14(2)3/h7-10,13-14,24H,4-6,11-12H2,1-3H3,(H,21,23)/b10-8+
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n/an/a 2.49E+3n/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair