Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381760'   

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))	BDBM381760 (US10272079, Compound 117) Show SMILES O=C(NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)c1ccc(cc1)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C64H84N6O14S2/c71-63(65-27-35-77-39-43-81-45-41-79-37-29-67-85(73,74)55-23-19-53(20-24-55)83-61-57-13-5-3-11-51(57)47-59(61)69-31-7-1-8-32-69)49-15-17-50(18-16-49)64(72)66-28-36-78-40-44-82-46-42-80-38-30-68-86(75,76)56-25-21-54(22-26-56)84-62-58-14-6-4-12-52(58)48-60(62)70-33-9-2-10-34-70/h3-6,11-26,59-62,67-68H,1-2,7-10,27-48H2,(H,65,71)(H,66,72)/t59-,60-,61-,62-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.31	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)	BDBM381760 (US10272079, Compound 117) Show SMILES O=C(NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)c1ccc(cc1)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C64H84N6O14S2/c71-63(65-27-35-77-39-43-81-45-41-79-37-29-67-85(73,74)55-23-19-53(20-24-55)83-61-57-13-5-3-11-51(57)47-59(61)69-31-7-1-8-32-69)49-15-17-50(18-16-49)64(72)66-28-36-78-40-44-82-46-42-80-38-30-68-86(75,76)56-25-21-54(22-26-56)84-62-58-14-6-4-12-52(58)48-60(62)70-33-9-2-10-34-70/h3-6,11-26,59-62,67-68H,1-2,7-10,27-48H2,(H,65,71)(H,66,72)/t59-,60-,61-,62-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	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