Ki Summary

Reaction Details

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Target

Histone deacetylase 8

Ligand

BDBM50148630

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1556982 (CHEMBL3772313)

IC50

>30000±n/a nM

Citation

Reddy, DN; Ballante, F; Chuang, T; Pirolli, A; Marrocco, B; Marshall, GR Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors. J Med Chem59:1613-33 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Histone deacetylase 8

Name:

Histone deacetylase 8

Synonyms:

Type:

Enzyme

Mol. Mass.:

41749.60

Organism:

Homo sapiens (Human)

Description:

Q9BY41

Residue:

377

Sequence:

MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPK
VASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATI
TAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLH
HGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKY
YQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLI
LGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPH
RIQQILNYIKGNLKHVV

BDBM50148630

n/a

Name

BDBM50148630

Synonyms:

CHEMBL3771206

Type

Small organic molecule

Emp. Form.

C26H33N3O5S2

Mol. Mass.

531.687

SMILES

CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccc(CNC(=O)C[C@H](OC1=O)\C=C\CCSC(C)=O)cc2 |r,wU:22.27,wD:3.2,7.7,c:11,(-2.44,-5.97,;-3.02,-4.88,;-4.25,-4.85,;-2.21,-3.56,;-3.34,-2.53,;-4.03,-1.15,;-5.22,-1.48,;-4.17,.39,;-3.28,-.46,;-2.34,.31,;-1.66,1.69,;-2.82,3.1,;-3.75,1.87,;-1.51,3.91,;-.42,1.95,;1.1,1.67,;2.82,3.1,;3.75,1.87,;4.17,.39,;4.03,-1.15,;5.22,-1.48,;3.34,-2.53,;2.21,-3.56,;.77,-4.12,;-.77,-4.12,;-1,-5.33,;3.02,-4.88,;4.56,-4.83,;5.38,-6.14,;6.92,-6.09,;7.73,-7.4,;9.27,-7.35,;9.85,-6.26,;9.92,-8.39,;1.51,3.91,;,4.19,)|

Structure