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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 = 'BDBM50194449'   
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))		BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,35-,36-,37-,38-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>6.00E+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
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair