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SMILES: [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1

InChI Key: InChIKey=MXKQXLASRORHNH-ZGXWSNOMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50051032   
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))
BDBM50051032
PNG
(CHEMBL3309855)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50051032
PNG
(CHEMBL3309855)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50051032
PNG
(CHEMBL3309855)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair