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SMILES: CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1

InChI Key: InChIKey=VYNJQGSVUMGYJX-KVXOYYPDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 381794   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium/hydrogen exchanger 3


(Homo sapiens (Human))
BDBM381794
PNG
(US10272079, Compound 151)
Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r|
Show InChI InChI=1S/C51H66Cl4N6O12S2/c1-51(2,49(62)56-15-19-68-23-25-70-21-17-58-74(64,65)37-11-7-35(8-12-37)72-47-41-27-33(52)29-43(54)39(41)31-45(47)60(3)4)50(63)57-16-20-69-24-26-71-22-18-59-75(66,67)38-13-9-36(10-14-38)73-48-42-28-34(53)30-44(55)40(42)32-46(48)61(5)6/h7-14,27-30,45-48,58-59H,15-26,31-32H2,1-6H3,(H,56,62)(H,57,63)/t45-,46-,47-,48-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.6n/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)
BDBM381794
PNG
(US10272079, Compound 151)
Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r|
Show InChI InChI=1S/C51H66Cl4N6O12S2/c1-51(2,49(62)56-15-19-68-23-25-70-21-17-58-74(64,65)37-11-7-35(8-12-37)72-47-41-27-33(52)29-43(54)39(41)31-45(47)60(3)4)50(63)57-16-20-69-24-26-71-22-18-59-75(66,67)38-13-9-36(10-14-38)73-48-42-28-34(53)30-44(55)40(42)32-46(48)61(5)6/h7-14,27-30,45-48,58-59H,15-26,31-32H2,1-6H3,(H,56,62)(H,57,63)/t45-,46-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.01n/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