Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381743'   

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))	BDBM381743 (US10272079, Compound 100) Show SMILES O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)c1ccc(cc1)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C60H76N6O12S2/c67-59(61-27-35-73-39-41-75-37-29-63-79(69,70)51-23-19-49(20-24-51)77-57-53-13-5-3-11-47(53)43-55(57)65-31-7-1-8-32-65)45-15-17-46(18-16-45)60(68)62-28-36-74-40-42-76-38-30-64-80(71,72)52-25-21-50(22-26-52)78-58-54-14-6-4-12-48(54)44-56(58)66-33-9-2-10-34-66/h3-6,11-26,55-58,63-64H,1-2,7-10,27-44H2,(H,61,67)(H,62,68)/t55-,56-,57-,58-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	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)	BDBM381743 (US10272079, Compound 100) Show SMILES O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)c1ccc(cc1)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C60H76N6O12S2/c67-59(61-27-35-73-39-41-75-37-29-63-79(69,70)51-23-19-49(20-24-51)77-57-53-13-5-3-11-47(53)43-55(57)65-31-7-1-8-32-65)45-15-17-46(18-16-45)60(68)62-28-36-74-40-42-76-38-30-64-80(71,72)52-25-21-50(22-26-52)78-58-54-14-6-4-12-48(54)44-56(58)66-33-9-2-10-34-66/h3-6,11-26,55-58,63-64H,1-2,7-10,27-44H2,(H,61,67)(H,62,68)/t55-,56-,57-,58-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.94	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