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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 7' and Ligand = 'BDBM50194470'   
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 7


(Homo sapiens (Human))
BDBM50194470
PNG
(CHEMBL3982833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1C2CC3CC(C2)CC1C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r,wU:42.45,29.32,4.4,wD:37.40,10.10,TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(31.33,-35.94,;29.99,-35.18,;28.66,-35.95,;28.66,-37.5,;27.32,-35.19,;27.32,-33.65,;28.65,-32.87,;25.99,-35.96,;24.66,-35.2,;24.65,-33.66,;23.32,-35.97,;23.33,-37.51,;24.67,-38.28,;24.67,-39.82,;26.01,-40.59,;26.01,-42.12,;27.35,-42.89,;27.36,-44.37,;26.16,-45.65,;27.66,-45.23,;29.07,-45.8,;30.08,-44.52,;28.69,-44.86,;30.09,-42.99,;28.7,-42.41,;27.66,-43.65,;21.99,-35.21,;20.66,-35.99,;20.66,-37.53,;19.32,-35.22,;19.31,-33.68,;20.65,-32.91,;20.64,-31.37,;21.98,-33.67,;17.99,-36,;16.65,-35.23,;16.65,-33.69,;15.32,-36.01,;15.33,-37.55,;13.99,-35.24,;12.66,-36.02,;12.66,-37.56,;11.32,-35.25,;11.31,-33.71,;10.55,-32.36,;11.35,-31.04,;10.59,-29.7,;9.05,-29.69,;8.27,-31.02,;9.03,-32.36,;9.99,-36.03,;8.65,-35.26,;8.65,-33.72,;7.32,-36.04,;5.98,-35.27,;4.65,-36.05,;4.66,-37.59,;3.32,-35.28,;3.32,-33.74,;1.98,-32.97,;.65,-33.75,;.66,-35.3,;2,-36.05,)|
Show InChI InChI=1/C47H67N7O9/c1-28(2)19-37(53-42(57)29(3)50-45(60)38(25-30-13-7-5-8-14-30)51-40(56)26-49-43(58)33-15-9-6-10-16-33)46(61)52-36(44(59)54-39(27-55)47(62)63-4)17-11-12-18-48-41-34-21-31-20-32(23-34)24-35(41)22-31/h5-10,13-16,28-29,31-32,34-39,41,48,55H,11-12,17-27H2,1-4H3,(H,49,58)(H,50,60)(H,51,56)(H,52,61)(H,53,57)(H,54,59)/t29-,31?,32?,34?,35?,36-,37-,38-,39-,41?/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...


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