Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381673' 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)) | BDBM381673
(US10272079, Compound 30)Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1 Show InChI InChI=1S/C58H78F4N12O16S2/c1-39(53(75)71-55(63)64)33-41-35-47(59)51(48(60)36-41)89-43-7-11-45(12-8-43)91(79,80)69-17-23-85-27-31-87-29-25-83-21-15-67-57(77)73(3)19-5-6-20-74(4)58(78)68-16-22-84-26-30-88-32-28-86-24-18-70-92(81,82)46-13-9-44(10-14-46)90-52-49(61)37-42(38-50(52)62)34-40(2)54(76)72-56(65)66/h7-14,33-38,69-70H,5-6,15-32H2,1-4H3,(H,67,77)(H,68,78)(H4,63,64,71,75)(H4,65,66,72,76)/b39-33+,40-34+ | 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) | BDBM381673
(US10272079, Compound 30)Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1 Show InChI InChI=1S/C58H78F4N12O16S2/c1-39(53(75)71-55(63)64)33-41-35-47(59)51(48(60)36-41)89-43-7-11-45(12-8-43)91(79,80)69-17-23-85-27-31-87-29-25-83-21-15-67-57(77)73(3)19-5-6-20-74(4)58(78)68-16-22-84-26-30-88-32-28-86-24-18-70-92(81,82)46-13-9-44(10-14-46)90-52-49(61)37-42(38-50(52)62)34-40(2)54(76)72-56(65)66/h7-14,33-38,69-70H,5-6,15-32H2,1-4H3,(H,67,77)(H,68,78)(H4,63,64,71,75)(H4,65,66,72,76)/b39-33+,40-34+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15.8 | 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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