Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381691' 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
(Rattus norvegicus) | BDBM381691
![PNG](/data/jpeg/tenK38/BindingDB_381691.png) (US10272079, Compound 48 | US10272079, Compound 65)Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.41 | 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
(Homo sapiens (Human)) | BDBM381691
![PNG](/data/jpeg/tenK38/BindingDB_381691.png) (US10272079, Compound 48 | US10272079, Compound 65)Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 10 | 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) | BDBM381691
![PNG](/data/jpeg/tenK38/BindingDB_381691.png) (US10272079, Compound 48 | US10272079, Compound 65)Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 28.2 | 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
(Homo sapiens (Human)) | BDBM381691
![PNG](/data/jpeg/tenK38/BindingDB_381691.png) (US10272079, Compound 48 | US10272079, Compound 65)Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 79.4 | 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 | |