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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gap junction beta-2 protein' and Ligand = 'BDBM50458720'   
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
Gap junction beta-2 protein


(Homo sapiens)		BDBM50458720
PNG
(CHEMBL4209017)
Show SMILES [H][C@@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2ccc3ccccc3c2)[C@@H](OCc2ccc3ccccc3c2)[C@H](N)[C@H]1O |r|
Show InChI InChI=1S/C40H52N4O11/c41-16-28-31(45)33(47)34(48)40(52-28)55-37-27(43)15-26(42)36(35(37)49)54-39-32(46)30(44)38(51-18-21-10-12-23-6-2-4-8-25(23)14-21)29(53-39)19-50-17-20-9-11-22-5-1-3-7-24(22)13-20/h1-14,26-40,45-49H,15-19,41-44H2/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35-,36+,37-,38-,39+,40-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs

ACS Med Chem Lett 9: 697-701 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00158
BindingDB Entry DOI: 10.7270/Q25M68BF
More data for this
Ligand-Target Pair