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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 8' and Ligand = 'BDBM50155931'   
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 8


(Homo sapiens (Human))
BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX8 (8 to 61 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive bindi...


ACS Med Chem Lett 7: 139-44 (2016)


BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair