Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381762'   

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)	BDBM381762 (US10272079, Compound 119) Show SMILES CC(C)(C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C61H86N6O14S2/c1-61(2,59(68)62-25-33-74-37-41-78-43-39-76-35-27-64-82(70,71)51-21-17-49(18-22-51)80-57-53-15-7-5-13-47(53)45-55(57)66-29-9-3-10-30-66)60(69)63-26-34-75-38-42-79-44-40-77-36-28-65-83(72,73)52-23-19-50(20-24-52)81-58-54-16-8-6-14-48(54)46-56(58)67-31-11-4-12-32-67/h5-8,13-24,55-58,64-65H,3-4,9-12,25-46H2,1-2H3,(H,62,68)(H,63,69)/t55-,56-,57-,58-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM381762 (US10272079, Compound 119) Show SMILES CC(C)(C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C61H86N6O14S2/c1-61(2,59(68)62-25-33-74-37-41-78-43-39-76-35-27-64-82(70,71)51-21-17-49(18-22-51)80-57-53-15-7-5-13-47(53)45-55(57)66-29-9-3-10-30-66)60(69)63-26-34-75-38-42-79-44-40-77-36-28-65-83(72,73)52-23-19-50(20-24-52)81-58-54-16-8-6-14-48(54)46-56(58)67-31-11-4-12-32-67/h5-8,13-24,55-58,64-65H,3-4,9-12,25-46H2,1-2H3,(H,62,68)(H,63,69)/t55-,56-,57-,58-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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