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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'nardelli' and Initial = 'f'   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
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1n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50340641
PNG
(CHEMBL4161189)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
Show InChI InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15(19)9-13-12-6-1-2-7-14(12)17-16(13)20/h1-9,18H,(H,17,20)/b13-9-
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6.30n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50340638
PNG
(CHEMBL4168458)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CSC2CC(=O)N(C[C@H]3CC[C@@H](CC3)C(N)=O)C2=O)NC(=O)CNC1=O)C(O)=O |r,wU:24.24,7.6,33.32,wD:16.53,36.39,(39.72,-6.1,;38.4,-5.3,;38.42,-3.75,;37.04,-6.05,;35.72,-5.25,;34.36,-6,;33.04,-5.2,;31.68,-5.95,;30.36,-5.15,;29.01,-5.9,;29,-7.45,;27.68,-5.12,;26.33,-5.88,;26.32,-7.42,;27.66,-8.19,;24.98,-8.2,;24.98,-9.75,;26.31,-10.51,;26.3,-12.04,;24.95,-12.8,;27.63,-12.82,;28.96,-12.06,;30.27,-12.84,;30.25,-14.39,;31.62,-12.1,;32.95,-12.89,;32.93,-14.44,;34.25,-15.22,;34.24,-16.75,;35.69,-17.23,;36.16,-18.69,;36.6,-16,;38.13,-16.01,;38.89,-17.34,;40.42,-17.34,;41.17,-18.68,;40.4,-20,;38.87,-19.98,;38.11,-18.66,;41.15,-21.33,;42.68,-21.35,;40.37,-22.65,;35.71,-14.76,;36.19,-13.3,;31.64,-10.55,;33.29,-10.15,;34.29,-11.33,;33.82,-8.97,;33.18,-7.92,;31.65,-7.5,;30.42,-8.42,;23.65,-10.52,;22.3,-9.75,;23.65,-12.07,)|
Show InChI InChI=1S/C15H11NO3/c17-13-6-5-9(8-14(13)18)7-11-10-3-1-2-4-12(10)16-15(11)19/h1-8,17-18H,(H,16,19)/b11-7+
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20n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50340643
PNG
(CHEMBL4165038)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CSC2CC(=O)N(CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CC3)C2=O)NC(=O)CNC1=O)C(O)=O |r|
Show InChI InChI=1S/C17H12N4O3S/c22-11-7-5-10(6-8-11)21-14(23)9-25-17(21)20-19-15-12-3-1-2-4-13(12)18-16(15)24/h1-8,22H,9H2,(H,18,19,24)/b20-17-
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22n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50340640
PNG
(CHEMBL4160559)
Show SMILES CCN1C(=O)CC(SC[C@@H]2NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C[C@H](NC(=O)CNC2=O)C(O)=O)C1=O |r|
Show InChI InChI=1S/C16H11NO4/c18-13-6-5-9(7-15(13)20)14(19)8-11-10-3-1-2-4-12(10)17-16(11)21/h1-8,18,20H,(H,17,21)/b11-8-
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27n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50340639
PNG
(CHEMBL4171425)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC1=O)C(O)=O |r|
Show InChI InChI=1S/C15H11NO4/c17-12-6-5-8(13(18)14(12)19)7-10-9-3-1-2-4-11(9)16-15(10)20/h1-7,17-19H,(H,16,20)/b10-7+
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103n/an/an/an/an/an/an/an/a



IRCCS Ospedale San Raffaele

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...


J Med Chem 61: 7474-7485 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00745
BindingDB Entry DOI: 10.7270/Q2SJ1P55
More data for this
Ligand-Target Pair
Histone deacetylase


(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 79n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(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 79n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50483618
PNG
(CHEMBL1760915)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H25N3O3/c21-16(19-23)8-4-7-14-9-11-20(12-10-14)17(22)18-13-15-5-2-1-3-6-15/h1-3,5-6,14,23H,4,7-13H2,(H,18,22)(H,19,21)
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n/an/a 90n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483617
PNG
(CHEMBL1760914)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H23N3O3/c20-15(18-22)8-4-5-13-9-11-19(12-10-13)16(21)17-14-6-2-1-3-7-14/h1-3,6-7,13,22H,4-5,8-12H2,(H,17,21)(H,18,20)
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n/an/a 100n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484360
PNG
(CHEMBL1910047)
Show SMILES Cc1cc(cc2ccccc12)S(=O)(=O)N1CCC(CCCC(=O)NO)CC1
Show InChI InChI=1S/C20H26N2O4S/c1-15-13-18(14-17-6-2-3-7-19(15)17)27(25,26)22-11-9-16(10-12-22)5-4-8-20(23)21-24/h2-3,6-7,13-14,16,24H,4-5,8-12H2,1H3,(H,21,23)
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n/an/a 124n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484361
PNG
(CHEMBL1910049)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O4S/c22-19(20-23)7-3-4-15-10-12-21(13-11-15)26(24,25)18-9-8-16-5-1-2-6-17(16)14-18/h1-2,5-6,8-9,14-15,23H,3-4,7,10-13H2,(H,20,22)
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n/an/a 128n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484357
PNG
(CHEMBL1909951)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H21ClN2O4S/c16-13-5-1-2-6-14(13)23(21,22)18-10-8-12(9-11-18)4-3-7-15(19)17-20/h1-2,5-6,12,20H,3-4,7-11H2,(H,17,19)
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n/an/a 173n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484362
PNG
(CHEMBL1910050)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H24N2O4S/c22-19(20-23)10-3-5-15-11-13-21(14-12-15)26(24,25)18-9-4-7-16-6-1-2-8-17(16)18/h1-2,4,6-9,15,23H,3,5,10-14H2,(H,20,22)
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n/an/a 181n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484359
PNG
(CHEMBL1910042)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnco1
Show InChI InChI=1S/C18H23N3O5S/c22-18(20-23)6-1-3-14-7-9-21(10-8-14)27(24,25)16-5-2-4-15(11-16)17-12-19-13-26-17/h2,4-5,11-14,23H,1,3,6-10H2,(H,20,22)
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n/an/a 213n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483619
PNG
(CHEMBL1760913)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H24N2O3/c20-16(18-22)8-4-7-14-9-11-19(12-10-14)17(21)13-15-5-2-1-3-6-15/h1-3,5-6,14,22H,4,7-13H2,(H,18,20)
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n/an/a 260n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484363
PNG
(CHEMBL1909955)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CCCC(=O)NO)CC1
Show InChI InChI=1S/C17H26N2O6S/c1-24-15-7-6-14(12-16(15)25-2)26(22,23)19-10-8-13(9-11-19)4-3-5-17(20)18-21/h6-7,12-13,21H,3-5,8-11H2,1-2H3,(H,18,20)
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n/an/a 317n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492409
PNG
(CHEMBL2403445)
Show SMILES Cc1ccc2cc(sc2c1F)C(=O)NO
Show InChI InChI=1S/C10H8FNO2S/c1-5-2-3-6-4-7(10(13)12-14)15-9(6)8(5)11/h2-4,14H,1H3,(H,12,13)
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UniChem
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n/an/a 458n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50484358
PNG
(CHEMBL1909943)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CCCC(=O)NO)CC1
Show InChI InChI=1S/C18H28N2O4S/c1-14(2)16-6-8-17(9-7-16)25(23,24)20-12-10-15(11-13-20)4-3-5-18(21)19-22/h6-9,14-15,22H,3-5,10-13H2,1-2H3,(H,19,21)
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UniChem
Article
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n/an/a 537n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483615
PNG
(CHEMBL1760911)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H22N2O4S/c18-15(16-19)8-4-5-13-9-11-17(12-10-13)22(20,21)14-6-2-1-3-7-14/h1-3,6-7,13,19H,4-5,8-12H2,(H,16,18)
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PC sid
UniChem
Article
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n/an/a 540n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483615
PNG
(CHEMBL1760911)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H22N2O4S/c18-15(16-19)8-4-5-13-9-11-17(12-10-13)22(20,21)14-6-2-1-3-7-14/h1-3,6-7,13,19H,4-5,8-12H2,(H,16,18)
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PC sid
UniChem
Article
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n/an/a 540n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492411
PNG
(CHEMBL2403453)
Show SMILES ONC(=O)c1cc2sccc2s1
Show InChI InChI=1S/C7H5NO2S2/c9-7(8-10)6-3-5-4(12-6)1-2-11-5/h1-3,10H,(H,8,9)
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UniChem
Article
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n/an/a 557n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483614
PNG
(CHEMBL1760910)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C16H24N2O4S/c19-16(17-20)8-4-7-14-9-11-18(12-10-14)23(21,22)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H,17,19)
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PC sid
UniChem
Article
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n/an/a 840n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483614
PNG
(CHEMBL1760910)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C16H24N2O4S/c19-16(17-20)8-4-7-14-9-11-18(12-10-14)23(21,22)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H,17,19)
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PC sid
UniChem
Article
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n/an/a 840n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492406
PNG
(CHEMBL2403451)
Show SMILES Cc1cc2sc(cc2cc1O)C(=O)NO
Show InChI InChI=1S/C10H9NO3S/c1-5-2-8-6(3-7(5)12)4-9(15-8)10(13)11-14/h2-4,12,14H,1H3,(H,11,13)
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UniChem
Article
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n/an/a 989n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492415
PNG
(CHEMBL2403452)
Show SMILES ONC(=O)c1cc2ccsc2s1
Show InChI InChI=1S/C7H5NO2S2/c9-6(8-10)5-3-4-1-2-11-7(4)12-5/h1-3,10H,(H,8,9)
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PC sid
UniChem
Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492414
PNG
(CHEMBL2403450)
Show SMILES COc1cc2cc(sc2cc1C)C(=O)NO
Show InChI InChI=1S/C11H11NO3S/c1-6-3-9-7(4-8(6)15-2)5-10(16-9)11(13)12-14/h3-5,14H,1-2H3,(H,12,13)
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PC sid
UniChem
Article
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n/an/a 1.35E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483616
PNG
(CHEMBL1760912)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H22N2O3/c19-15(17-21)8-4-5-13-9-11-18(12-10-13)16(20)14-6-2-1-3-7-14/h1-3,6-7,13,21H,4-5,8-12H2,(H,17,19)
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PC sid
UniChem
Article
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n/an/a 1.39E+3n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492413
PNG
(CHEMBL2403444)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NO
Show InChI InChI=1S/C10H9NO2S/c1-6-2-3-7-5-9(10(12)11-13)14-8(7)4-6/h2-5,13H,1H3,(H,11,12)
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UniChem
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n/an/a 1.76E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50216024
PNG
(CHEMBL245946 | N-hydroxybenzo[b]thiophene-2-carbox...)
Show SMILES ONC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H,10,11)
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Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492410
PNG
(CHEMBL2403446)
Show SMILES ONC(=O)c1cc2cccc(Cl)c2s1
Show InChI InChI=1S/C9H6ClNO2S/c10-6-3-1-2-5-4-7(9(12)11-13)14-8(5)6/h1-4,13H,(H,11,12)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492407
PNG
(CHEMBL2403449)
Show SMILES COc1cccc2sc(cc12)C(=O)NO
Show InChI InChI=1S/C10H9NO3S/c1-14-7-3-2-4-8-6(7)5-9(15-8)10(12)11-13/h2-5,13H,1H3,(H,11,12)
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Article
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n/an/a 3.79E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492408
PNG
(CHEMBL2403447)
Show SMILES ONC(=O)c1cc2cccc(c2s1)C(F)(F)F
Show InChI InChI=1S/C10H6F3NO2S/c11-10(12,13)6-3-1-2-5-4-7(9(15)14-16)17-8(5)6/h1-4,16H,(H,14,15)
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Article
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n/an/a 9.19E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492412
PNG
(CHEMBL2403448)
Show SMILES ONC(=O)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)
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UniChem
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n/an/a 1.16E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492405
PNG
(CHEMBL246559)
Show SMILES ONC(=O)c1csc2ccccc12
Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)7-5-13-8-4-2-1-3-6(7)8/h1-5,12H,(H,10,11)
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n/an/a 7.61E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair