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SMILES: OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1

InChI Key: InChIKey=ABEDQOQTISCLFO-QHCPKHFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50250099   
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))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair