Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381742'   

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)	BDBM381742 (US10272079, Compound 99) Show SMILES O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1 |r| Show InChI InChI=1S/C56H78N8O12S2/c65-55(59-25-33-71-37-39-73-35-27-61-77(67,68)47-19-15-45(16-20-47)75-53-49-13-3-1-11-43(49)41-51(53)63-29-7-8-30-63)57-23-5-6-24-58-56(66)60-26-34-72-38-40-74-36-28-62-78(69,70)48-21-17-46(18-22-48)76-54-50-14-4-2-12-44(50)42-52(54)64-31-9-10-32-64/h1-4,11-22,51-54,61-62H,5-10,23-42H2,(H2,57,59,65)(H2,58,60,66)/t51-,52-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	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))	BDBM381742 (US10272079, Compound 99) Show SMILES O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1 |r| Show InChI InChI=1S/C56H78N8O12S2/c65-55(59-25-33-71-37-39-73-35-27-61-77(67,68)47-19-15-45(16-20-47)75-53-49-13-3-1-11-43(49)41-51(53)63-29-7-8-30-63)57-23-5-6-24-58-56(66)60-26-34-72-38-40-74-36-28-62-78(69,70)48-21-17-46(18-22-48)76-54-50-14-4-2-12-44(50)42-52(54)64-31-9-10-32-64/h1-4,11-22,51-54,61-62H,5-10,23-42H2,(H2,57,59,65)(H2,58,60,66)/t51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+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