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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50250144   
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 6


(Homo sapiens (Human))
BDBM50250144
PNG
(CHEMBL4069283)
Show SMILES ONC(=O)CCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H22N6O2/c24-15(22-25)6-4-2-1-3-5-9-23-11-13(10-21-23)16-14-7-8-18-17(14)20-12-19-16/h7-8,10-12,25H,1-6,9H2,(H,22,24)(H,18,19,20)
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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres...


J Med Chem 60: 8336-8357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00678
BindingDB Entry DOI: 10.7270/Q2CN76B6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250144
PNG
(CHEMBL4069283)
Show SMILES ONC(=O)CCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H22N6O2/c24-15(22-25)6-4-2-1-3-5-9-23-11-13(10-21-23)16-14-7-8-18-17(14)20-12-19-16/h7-8,10-12,25H,1-6,9H2,(H,22,24)(H,18,19,20)
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R...


J Med Chem 60: 8336-8357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00678
BindingDB Entry DOI: 10.7270/Q2CN76B6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50250144
PNG
(CHEMBL4069283)
Show SMILES ONC(=O)CCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H22N6O2/c24-15(22-25)6-4-2-1-3-5-9-23-11-13(10-21-23)16-14-7-8-18-17(14)20-12-19-16/h7-8,10-12,25H,1-6,9H2,(H,22,24)(H,18,19,20)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 481n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATP


J Med Chem 60: 8336-8357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00678
BindingDB Entry DOI: 10.7270/Q2CN76B6
More data for this
Ligand-Target Pair