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BDBM233547 US9353061, Lova-HA (1)

SMILES: CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12

InChI Key: InChIKey=UZLJJCAWULBGEN-LEPQHAKVSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 233547   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM233547
PNG
(US9353061, Lova-HA (1))
Show SMILES CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12
Show InChI InChI=1S/C24H39NO6/c1-5-15(3)24(29)31-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(26)12-19(27)13-22(28)25-30/h6-7,10,14-16,18-21,23,26-27,30H,5,8-9,11-13H2,1-4H3,(H,25,28)/t14-,15?,16-,18+,19+,20-,21?,23-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 16.8n/an/an/an/a7.4n/a



National Taiwan University

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9353061 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V9M
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM233547
PNG
(US9353061, Lova-HA (1))
Show SMILES CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12
Show InChI InChI=1S/C24H39NO6/c1-5-15(3)24(29)31-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(26)12-19(27)13-22(28)25-30/h6-7,10,14-16,18-21,23,26-27,30H,5,8-9,11-13H2,1-4H3,(H,25,28)/t14-,15?,16-,18+,19+,20-,21?,23-/m0/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 50.5n/an/an/an/an/a25



National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V9M
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM233547
PNG
(US9353061, Lova-HA (1))
Show SMILES CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12
Show InChI InChI=1S/C24H39NO6/c1-5-15(3)24(29)31-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(26)12-19(27)13-22(28)25-30/h6-7,10,14-16,18-21,23,26-27,30H,5,8-9,11-13H2,1-4H3,(H,25,28)/t14-,15?,16-,18+,19+,20-,21?,23-/m0/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 468n/an/an/an/an/a25



National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V9M
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM233547
PNG
(US9353061, Lova-HA (1))
Show SMILES CCC(C)C(=O)OC1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)NO)[C@@H]12
Show InChI InChI=1S/C24H39NO6/c1-5-15(3)24(29)31-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(26)12-19(27)13-22(28)25-30/h6-7,10,14-16,18-21,23,26-27,30H,5,8-9,11-13H2,1-4H3,(H,25,28)/t14-,15?,16-,18+,19+,20-,21?,23-/m0/s1
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 60.1n/an/an/an/an/a25



National Taiwan University

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V9M
More data for this
Ligand-Target Pair