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BDBM50437818 CHEMBL2407716

SMILES: Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1

InChI Key: InChIKey=GMJBHVCHBXJWGH-OAQYLSRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437818   
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
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50437818
PNG
(CHEMBL2407716)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...


J Med Chem 56: 6156-74 (2013)


Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65
More data for this
Ligand-Target Pair