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Compile Data Set for Download or QSAR

Found 11 hits from Academy of Military Medical Sciences   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096258
PNG
(CHEMBL3593303)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cnc3cccnn23)cc1
Show InChI InChI=1S/C23H20N6O2/c24-19-4-1-2-5-20(19)28-23(31)17-9-7-16(8-10-17)14-26-22(30)12-11-18-15-25-21-6-3-13-27-29(18)21/h1-13,15H,14,24H2,(H,26,30)(H,28,31)/b12-11+
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n/an/a 118n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096264
PNG
(CHEMBL3593308)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)\C=C\c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C25H22N4O2/c26-21-6-2-4-8-23(21)29-25(31)18-11-9-17(10-12-18)15-28-24(30)14-13-19-16-27-22-7-3-1-5-20(19)22/h1-14,16,27H,15,26H2,(H,28,30)(H,29,31)/b14-13+
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n/an/a 120n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096260
PNG
(CHEMBL3593305)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cnc3ccccn23)cc1
Show InChI InChI=1S/C24H21N5O2/c25-20-5-1-2-6-21(20)28-24(31)18-10-8-17(9-11-18)15-27-23(30)13-12-19-16-26-22-7-3-4-14-29(19)22/h1-14,16H,15,25H2,(H,27,30)(H,28,31)/b13-12+
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n/an/a 129n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096266
PNG
(CHEMBL3593310)
Show SMILES Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cnc3cccnn23)cc1
Show InChI InChI=1S/C23H19FN6O2/c24-17-7-9-20(19(25)12-17)29-23(32)16-5-3-15(4-6-16)13-27-22(31)10-8-18-14-26-21-2-1-11-28-30(18)21/h1-12,14H,13,25H2,(H,27,31)(H,29,32)/b10-8+
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n/an/a 131n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096267
PNG
(CHEMBL3593311)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cnc3cccnn23)cc1
Show InChI InChI=1S/C23H19FN6O2/c24-17-7-9-19(25)20(12-17)29-23(32)16-5-3-15(4-6-16)13-27-22(31)10-8-18-14-26-21-2-1-11-28-30(18)21/h1-12,14H,13,25H2,(H,27,31)(H,29,32)/b10-8+
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n/an/a 137n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096259
PNG
(CHEMBL3593304)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CCNC(=O)\C=C\c2cnc3cccnn23)cc1
Show InChI InChI=1S/C24H22N6O2/c25-20-4-1-2-5-21(20)29-24(32)18-9-7-17(8-10-18)13-15-26-23(31)12-11-19-16-27-22-6-3-14-28-30(19)22/h1-12,14,16H,13,15,25H2,(H,26,31)(H,29,32)/b12-11+
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n/an/a 154n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096265
PNG
(CHEMBL3593309)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CCNC(=O)\C=C\c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C26H24N4O2/c27-22-6-2-4-8-24(22)30-26(32)19-11-9-18(10-12-19)15-16-28-25(31)14-13-20-17-29-23-7-3-1-5-21(20)23/h1-14,17,29H,15-16,27H2,(H,28,31)(H,30,32)/b14-13+
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n/an/a 169n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096262
PNG
(CHEMBL3593246)
Show SMILES Cc1nc2ccccn2c1\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C25H23N5O2/c1-17-22(30-15-5-4-8-23(30)28-17)13-14-24(31)27-16-18-9-11-19(12-10-18)25(32)29-21-7-3-2-6-20(21)26/h2-15H,16,26H2,1H3,(H,27,31)(H,29,32)/b14-13+
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n/an/a 173n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096263
PNG
(CHEMBL3593307)
Show SMILES Cc1nc2ccccn2c1\C=C\C(=O)NCCc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C26H25N5O2/c1-18-23(31-17-5-4-8-24(31)29-18)13-14-25(32)28-16-15-19-9-11-20(12-10-19)26(33)30-22-7-3-2-6-21(22)27/h2-14,17H,15-16,27H2,1H3,(H,28,32)(H,30,33)/b14-13+
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n/an/a 178n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50096261
PNG
(CHEMBL3593306)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CCNC(=O)\C=C\c2cnc3ccccn23)cc1
Show InChI InChI=1S/C25H23N5O2/c26-21-5-1-2-6-22(21)29-25(32)19-10-8-18(9-11-19)14-15-27-24(31)13-12-20-17-28-23-7-3-4-16-30(20)23/h1-13,16-17H,14-15,26H2,(H,27,31)(H,29,32)/b13-12+
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n/an/a 217n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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CHEMBL
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Article
PubMed
n/an/a 273n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader a...


Eur J Med Chem 100: 270-6 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.045
BindingDB Entry DOI: 10.7270/Q2GT5PXH
More data for this
Ligand-Target Pair