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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 5' and Ligand = 'BDBM50194260'   
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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194260
PNG
(CHEMBL3973366)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H57F3N6O8/c1-7-49(8-2)21-13-12-16-30(36(53)48-33(24-50)39(56)57-6)45-38(55)31(22-25(3)4)46-34(51)26(5)44-37(54)32(23-27-14-10-9-11-15-27)47-35(52)28-17-19-29(20-18-28)40(41,42)43/h9-11,14-15,17-20,25-26,30-33,50H,7-8,12-13,16,21-24H2,1-6H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t26-,30-,31-,32-,33-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX5 chromodomain (18 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair