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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381675'   
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


(Homo sapiens (Human))
BDBM381675
PNG
(US10272079, Compound 32)
Show SMILES COCCOCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12
Show InChI InChI=1S/C37H55ClN8O8/c1-48-17-18-52-25-26-53-22-19-49-14-7-34(47)41-8-15-50-20-23-54-24-21-51-16-13-45-9-11-46(12-10-45)31-4-2-3-29(27-31)35-32-28-30(38)5-6-33(32)42-37(43-35)44-36(39)40/h2-6,27-28H,7-26H2,1H3,(H,41,47)(H4,39,40,42,43,44)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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
Sodium/hydrogen exchanger 3


(Rattus norvegicus)
BDBM381675
PNG
(US10272079, Compound 32)
Show SMILES COCCOCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12
Show InChI InChI=1S/C37H55ClN8O8/c1-48-17-18-52-25-26-53-22-19-49-14-7-34(47)41-8-15-50-20-23-54-24-21-51-16-13-45-9-11-46(12-10-45)31-4-2-3-29(27-31)35-32-28-30(38)5-6-33(32)42-37(43-35)44-36(39)40/h2-6,27-28H,7-26H2,1H3,(H,41,47)(H4,39,40,42,43,44)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50.1n/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