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Compile Data Set for Download or QSAR

Found 27 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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387167
PNG
(CHEMBL2047981)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H14ClF6N5O2/c24-17-6-3-13(9-16(17)22(25,26)27)34-21(36)33-12-1-4-14(5-2-12)37-15-7-8-31-18(10-15)20-32-11-19(35-20)23(28,29)30/h1-11H,(H,32,35)(H2,33,34,36)
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n/an/a 10.6n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387168
PNG
(CHEMBL2047982)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)ccn1
Show InChI InChI=1S/C22H14Cl2F3N5O2/c23-16-6-3-13(9-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33)
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n/an/a 13.1n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387178
PNG
(CHEMBL2047994)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)ccn1
Show InChI InChI=1S/C22H13Cl3F3N5O2/c23-14-3-1-11(7-15(14)24)31-21(34)32-17-4-2-12(8-16(17)25)35-13-5-6-29-18(9-13)20-30-10-19(33-20)22(26,27)28/h1-10H,(H,30,33)(H2,31,32,34)
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n/an/a 16.5n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387176
PNG
(CHEMBL2047992)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(Cl)c2)ccn1
Show InChI InChI=1S/C23H13Cl2F6N5O2/c24-15-3-1-11(7-14(15)22(26,27)28)34-21(37)35-17-4-2-12(8-16(17)25)38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31/h1-10H,(H,33,36)(H2,34,35,37)
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n/an/a 22.1n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 24.3n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387175
PNG
(CHEMBL2047991)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)c(Cl)c2)ccn1
Show InChI InChI=1S/C23H13Cl2F6N5O2/c24-14-3-1-11(22(26,27)28)7-17(14)35-21(37)34-16-4-2-12(8-15(16)25)38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31/h1-10H,(H,33,36)(H2,34,35,37)
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n/an/a 35.9n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387177
PNG
(CHEMBL2047993)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C24H16ClF6N5O2/c1-12-2-3-13(8-16(12)23(26,27)28)34-22(37)35-18-5-4-14(9-17(18)25)38-15-6-7-32-19(10-15)21-33-11-20(36-21)24(29,30)31/h2-11H,1H3,(H,33,36)(H2,34,35,37)
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n/an/a 46.7n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387164
PNG
(CHEMBL2047995)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c(Cl)c2)ccn1
Show InChI InChI=1S/C23H14ClF6N5O2/c24-16-9-14(37-15-6-7-31-18(10-15)20-32-11-19(35-20)23(28,29)30)4-5-17(16)34-21(36)33-13-3-1-2-12(8-13)22(25,26)27/h1-11H,(H,32,35)(H2,33,34,36)
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n/an/a 64.8n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387169
PNG
(CHEMBL2047983)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2)cc1Cl
Show InChI InChI=1S/C22H14ClF4N5O2/c23-16-9-13(3-6-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33)
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n/an/a 69.2n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387166
PNG
(CHEMBL2047980)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H14ClF6N5O2/c24-16-6-1-12(22(25,26)27)9-17(16)34-21(36)33-13-2-4-14(5-3-13)37-15-7-8-31-18(10-15)20-32-11-19(35-20)23(28,29)30/h1-11H,(H,32,35)(H2,33,34,36)
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n/an/a 75.9n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387174
PNG
(CHEMBL2047990)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C23H13ClF7N5O2/c24-15-8-12(38-13-5-6-32-18(9-13)20-33-10-19(36-20)23(29,30)31)2-4-17(15)35-21(37)34-11-1-3-16(25)14(7-11)22(26,27)28/h1-10H,(H,33,36)(H2,34,35,37)
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n/an/a 77.7n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387170
PNG
(CHEMBL2047984)
Show SMILES Fc1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2)ccc1Br
Show InChI InChI=1S/C22H14BrF4N5O2/c23-16-6-3-13(9-17(16)24)31-21(33)30-12-1-4-14(5-2-12)34-15-7-8-28-18(10-15)20-29-11-19(32-20)22(25,26)27/h1-11H,(H,29,32)(H2,30,31,33)
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n/an/a 81.5n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387165
PNG
(CHEMBL2047979)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H15F6N5O2/c24-22(25,26)13-2-1-3-15(10-13)33-21(35)32-14-4-6-16(7-5-14)36-17-8-9-30-18(11-17)20-31-12-19(34-20)23(27,28)29/h1-12H,(H,31,34)(H2,32,33,35)
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n/an/a 87.8n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387171
PNG
(CHEMBL2047985)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H15F4N5O2/c23-13-1-3-14(4-2-13)29-21(32)30-15-5-7-16(8-6-15)33-17-9-10-27-18(11-17)20-28-12-19(31-20)22(24,25)26/h1-12H,(H,28,31)(H2,29,30,32)
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n/an/a 94.9n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
More data for this
Ligand-Target Pair
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387172
PNG
(CHEMBL2047986)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1ccc(Oc2ccnc(c2)-c2ncc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17ClF3N5O2/c1-13-3-2-4-17(24)20(13)32-22(33)30-14-5-7-15(8-6-14)34-16-9-10-28-18(11-16)21-29-12-19(31-21)23(25,26)27/h2-12H,1H3,(H,29,31)(H2,30,32,33)
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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 C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50387173
PNG
(CHEMBL2047988)
Show SMILES Cc1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)cc2)no1
Show InChI InChI=1S/C20H15F3N6O3/c1-11-8-17(29-32-11)28-19(30)26-12-2-4-13(5-3-12)31-14-6-7-24-15(9-14)18-25-10-16(27-18)20(21,22)23/h2-10H,1H3,(H,25,27)(H2,26,28,29,30)
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n/an/a 148n/an/an/an/an/an/a



Academy of Military Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting


Bioorg Med Chem 20: 4323-9 (2012)


Article DOI: 10.1016/j.bmc.2012.05.051
BindingDB Entry DOI: 10.7270/Q2VM4D93
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 | US97966...)
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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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