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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 = 'BDBM50194457'   
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))		BDBM50194457
PNG
(CHEMBL3969494)
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(C)(C)C)C(=O)NCCO |r|
Show InChI InChI=1S/C41H64N6O6/c1-9-47(10-2)24-15-14-18-33(38(51)42-23-25-48)44-40(53)34(26-28(3)4)45-36(49)29(5)43-39(52)35(27-30-16-12-11-13-17-30)46-37(50)31-19-21-32(22-20-31)41(6,7)8/h11-13,16-17,19-22,28-29,33-35,48H,9-10,14-15,18,23-27H2,1-8H3,(H,42,51)(H,43,52)(H,44,53)(H,45,49)(H,46,50)/t29-,33-,34-,35-/m0/s1
PDB

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PC cid
PC sid
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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