Reaction Details Report a problem with these data
Target
Histone deacetylase 2
Ligand
BDBM50199119
Substrate
n/a
Meas. Tech.
ChEMBL_1621340 (CHEMBL3863623)
IC50
>100000±n/a nM
Citation
 Jadhavar, PS; Ramachandran, SA; Riquelme, E; Gupta, A; Quinn, KP; Shivakumar, D; Ray, S; Zende, D; Nayak, AK; Miglani, SK; Sathe, BD; Raja, M; Farias, O; Alfaro, I; Belmar, S; Guerrero, J; Bernales, S; Chakravarty, S; Hung, DT; Lindquist, JN; Rai, R Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors. Bioorg Med Chem Lett 26:5222-5228 (2016) [PubMed]  Article 
Target
Name:
Histone deacetylase 2
Synonyms:
Cereblon/Histone deacetylase 2 | HD2 | HDAC2 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2) | Human HDAC2
Type:
Chromatin regulator; hydrolase; repressor
Mol. Mass.:
55356.54
Organism:
Homo sapiens (Human)
Description:
Q92769
Residue:
488
Sequence:
MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEEFSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGTKSEQLSNP
  
Inhibitor
Name:
BDBM50199119
Synonyms:
CHEMBL3948452
Type:
Small organic molecule
Emp. Form.:
C28H21F4N5O2S
Mol. Mass.:
567.557
SMILES:
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1
Structure:
Search PDB for entries with ligand similarity: