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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'ren' and Initial = 'hm'   
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
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582469
PNG
(CHEMBL5087997)
Show SMILES ONC(=O)c1ccc(\C=C\c2cncc(c2)-c2ccccc2O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582458
PNG
(CHEMBL5083395)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccnc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582461
PNG
(CHEMBL5093633)
Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based micr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 19n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582456
PNG
(CHEMBL5081674)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccc(O)c2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50540061
PNG
(CHEMBL4637168)
Show SMILES CCOC(=O)c1c(O)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)6-3-4-12-5-7(6)13-10(8)15/h3-5H,2H2,1H3,(H2,13,14,15)
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n/an/a 20n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
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n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582455
PNG
(CHEMBL5081128)
Show SMILES COc1ccccc1-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582457
PNG
(CHEMBL5087466)
Show SMILES OCc1cccc(c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582454
PNG
(CHEMBL5075646)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582467
PNG
(CHEMBL5085680)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccsc2)cc1
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n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582470
PNG
(CHEMBL5081983)
Show SMILES COc1ccc(F)cc1-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582460
PNG
(CHEMBL5075694)
Show SMILES COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582466
PNG
(CHEMBL5076948)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccncc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582453
PNG
(CHEMBL5094326)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582459
PNG
(CHEMBL5081200)
Show SMILES Cc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582468
PNG
(CHEMBL5089538)
Show SMILES Cc1ccc(c(F)c1)-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582462
PNG
(CHEMBL5087779)
Show SMILES ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2ccccc2O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582463
PNG
(CHEMBL5092482)
Show SMILES ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2cccc(O)c2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582467
PNG
(CHEMBL5085680)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccsc2)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582454
PNG
(CHEMBL5075646)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582464
PNG
(CHEMBL5087823)
Show SMILES ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2cc(F)ccc2O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50613058
PNG
(CHEMBL5290991)
Show SMILES C(CN1c2ccccc2Sc2ccccc12)N1CCOCC1
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 261n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based micr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582457
PNG
(CHEMBL5087466)
Show SMILES OCc1cccc(c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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TBA

Assay Description
Inhibition of recombinant LSD1 (157 to 852 residues) (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 as substrate by amplex re...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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TBA

Assay Description
Inhibition of HDAC5 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582456
PNG
(CHEMBL5081674)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccc(O)c2)cc1
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582465
PNG
(CHEMBL5081459)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(Br)c2)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582461
PNG
(CHEMBL5093633)
Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582452
PNG
(CHEMBL5070176)
Show SMILES ONC(=O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
PDB
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50582451
PNG
(CHEMBL5084881)
Show SMILES ONC(=O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
PDB
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50582461
PNG
(CHEMBL5093633)
Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
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TBA

Assay Description
Inhibition of HDAC2 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based micr...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50613056
PNG
(CHEMBL316076)
Show SMILES C(CCN1c2ccccc2Sc2ccccc12)CN1CCOCC1
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582475
PNG
(CHEMBL5079333)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50582469
PNG
(CHEMBL5087997)
Show SMILES ONC(=O)c1ccc(\C=C\c2cncc(c2)-c2ccccc2O)cc1
PDB
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TBA

Assay Description
Inhibition of recombinant LSD1 (157 to 852 residues) (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 as substrate by amplex re...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM260167
PNG
(US9504692, 3942)
Show SMILES C(CN1CCOCC1)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H22N2OS/c1-3-8-18-16(6-1)21(17-7-2-4-9-19(17)23-18)11-5-10-20-12-14-22-15-13-20/h1-4,6-9H,5,10-15H2
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582458
PNG
(CHEMBL5083395)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccnc2)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582466
PNG
(CHEMBL5076948)
Show SMILES ONC(=O)c1ccc(\C=C\c2ccncc2)cc1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582470
PNG
(CHEMBL5081983)
Show SMILES COc1ccc(F)cc1-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50613083
PNG
(CHEMBL5271917)
Show SMILES CSc1ccc2Sc3ccccc3N(CCN3CCOCC3)c2c1
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50582460
PNG
(CHEMBL5075694)
Show SMILES COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
PDB
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113453
BindingDB Entry DOI: 10.7270/Q2F47T12
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50613060
PNG
(CHEMBL5266438)
Show SMILES CN1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
PDB
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n/an/a 746n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50613048
PNG
(CHEMBL5284339)
Show SMILES CC1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
PDB
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n/an/a 835n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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