Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381670' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium/hydrogen exchanger 3
(Homo sapiens (Human)) | BDBM381670
(US10272079, Compound 27)Show SMILES [#6]\[#6](=[#6]/c1cc(F)c(-[#8]-c2ccc(cc2)S(=O)(=O)[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c2ccc(-[#8]-c3c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc3F)cc2)-[#6]-[#6](-[#8])=O)c(F)c1)-[#6](=O)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C60H78F4N12O20S2/c1-39(57(83)73-59(65)66)29-41-31-47(61)55(48(62)32-41)95-43-3-7-45(8-4-43)97(85,86)71-13-19-91-23-27-93-25-21-89-17-11-69-51(77)35-75(37-53(79)80)15-16-76(38-54(81)82)36-52(78)70-12-18-90-22-26-94-28-24-92-20-14-72-98(87,88)46-9-5-44(6-10-46)96-56-49(63)33-42(34-50(56)64)30-40(2)58(84)74-60(67)68/h3-10,29-34,71-72H,11-28,35-38H2,1-2H3,(H,69,77)(H,70,78)(H,79,80)(H,81,82)(H4,65,66,73,83)(H4,67,68,74,84)/b39-29+,40-30+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM381670
(US10272079, Compound 27)Show SMILES [#6]\[#6](=[#6]/c1cc(F)c(-[#8]-c2ccc(cc2)S(=O)(=O)[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c2ccc(-[#8]-c3c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc3F)cc2)-[#6]-[#6](-[#8])=O)c(F)c1)-[#6](=O)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C60H78F4N12O20S2/c1-39(57(83)73-59(65)66)29-41-31-47(61)55(48(62)32-41)95-43-3-7-45(8-4-43)97(85,86)71-13-19-91-23-27-93-25-21-89-17-11-69-51(77)35-75(37-53(79)80)15-16-76(38-54(81)82)36-52(78)70-12-18-90-22-26-94-28-24-92-20-14-72-98(87,88)46-9-5-44(6-10-46)96-56-49(63)33-42(34-50(56)64)30-40(2)58(84)74-60(67)68/h3-10,29-34,71-72H,11-28,35-38H2,1-2H3,(H,69,77)(H,70,78)(H,79,80)(H,81,82)(H4,65,66,73,83)(H4,67,68,74,84)/b39-29+,40-30+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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