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BDBM50027652 CHEMBL3353926

SMILES: CC(=O)SCCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1

InChI Key: InChIKey=QGYPCQAYENIOOF-DLBZAZTESA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027652   
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


(Homo sapiens (Human))
BDBM50027652
PNG
(CHEMBL3353926)
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H27N3O4S/c1-14(24)28-13-7-3-6-10-16(19(26)21-15-8-4-2-5-9-15)23-20(27)17-11-12-18(25)22-17/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)/t16-,17+/m0/s1
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PC sid
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of HDAC-mediated histone H4 deacetylation in human NCI-H460 cells after 3 hrs by Western blot analysis


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50027652
PNG
(CHEMBL3353926)
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H27N3O4S/c1-14(24)28-13-7-3-6-10-16(19(26)21-15-8-4-2-5-9-15)23-20(27)17-11-12-18(25)22-17/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)/t16-,17+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of HDAC-mediated tubulin deacetylation in human NCI-H460 cells after 3 hrs by Western blot analysis


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair