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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50275770   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 1.26E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair