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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381751'   
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
Sodium/hydrogen exchanger 3


(Rattus norvegicus)		BDBM381751
PNG
(US10272079, Compound 108)
Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCN(CCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)C(=O)NCCOCCOCCN)c2cc(Cl)cc(Cl)c2C1 |r|
Show InChI InChI=1S/C57H81Cl4N11O13S2/c1-70-37-49(47-33-43(58)35-53(60)51(47)39-70)41-5-3-7-45(31-41)86(76,77)68-15-23-84-29-27-81-20-12-65-55(73)63-10-17-72(57(75)67-14-22-83-26-25-80-19-9-62)18-11-64-56(74)66-13-21-82-28-30-85-24-16-69-87(78,79)46-8-4-6-42(32-46)50-38-71(2)40-52-48(50)34-44(59)36-54(52)61/h3-8,31-36,49-50,68-69H,9-30,37-40,62H2,1-2H3,(H,67,75)(H2,63,65,73)(H2,64,66,74)/t49-,50-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...

J Med Chem 51: 5663-79 (2008)


BindingDB Entry DOI: 10.7270/Q2251MHH
More data for this
Ligand-Target Pair