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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methyl-CpG-binding domain protein 2' and Ligand = 'BDBM79511'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM79511
PNG
(MLS001116571 | N-(2-chlorobenzyl)-3-[(3-keto-4H-1,...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C19H19ClN2O4S2/c1-12(19(24)21-9-13-4-2-3-5-15(13)20)11-28(25,26)14-6-7-17-16(8-14)22-18(23)10-27-17/h2-8,12H,9-11H2,1H3,(H,21,24)(H,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair