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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ezrin' and Ligand = 'BDBM223224'   
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
Ezrin


(Homo sapiens (Human))		BDBM223224
PNG
(Disorazole A)
Show SMILES CO[C@@H]1Cc2nc(co2)C(=O)O[C@@H](CCC[C@H]2O[C@H]2CC[C@@H]2O[C@@H]2c2nc(co2)C(=O)O[C@@H](C\C=C/C(/C)=C\C=C\1)C(C)(C)[C@@H](O)\C=C\C)C(C)(C)[C@@H](O)\C=C\C |r,c:38,41,t:43|
Show InChI InChI=1S/C44H60N2O11/c1-9-14-34(47)43(4,5)36-20-12-17-27(3)16-11-18-28(51-8)24-38-45-29(25-52-38)41(49)56-37(44(6,7)35(48)15-10-2)21-13-19-31-32(54-31)22-23-33-39(55-33)40-46-30(26-53-40)42(50)57-36/h9-12,14-18,25-26,28,31-37,39,47-48H,13,19-24H2,1-8H3/b14-9+,15-10+,17-12-,18-11+,27-16-/t28-,31+,32-,33-,34-,35-,36-,37-,39-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+4n/an/an/a5.525



Saarland University; Helmholtz Centre for Infection Research (HZI); German Centre for Infection Research (DZIF)



Assay Description
Recombinant ezrin (Hypermol) was diluted to 70 mg/mL in sodium acetate buffer (pH 5.5, 10 mM) immobilized for 350 s on a CM5 Sensor Chip (Biacore) by...

Cell Chem Biol 24: 159-170 (2017)


Article DOI: 10.1016/j.chembiol.2016.12.011
BindingDB Entry DOI: 10.7270/Q20V8BNX
More data for this
Ligand-Target Pair