Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381795'   

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))	BDBM381795 (US10272079, Compound 152) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)Nc1ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4c3cc(Cl)cc4Cl)N(C)C)cc2)cc1 |r| Show InChI InChI=1S/C54H66Cl4N8O12S2/c1-65(2)49-33-43-45(29-35(55)31-47(43)57)51(49)77-39-9-13-41(14-10-39)79(69,70)61-19-23-75-27-25-73-21-17-59-53(67)63-37-5-7-38(8-6-37)64-54(68)60-18-22-74-26-28-76-24-20-62-80(71,72)42-15-11-40(12-16-42)78-52-46-30-36(56)32-48(58)44(46)34-50(52)66(3)4/h5-16,29-32,49-52,61-62H,17-28,33-34H2,1-4H3,(H2,59,63,67)(H2,60,64,68)/t49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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 (Rattus norvegicus)	BDBM381795 (US10272079, Compound 152) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)Nc1ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4c3cc(Cl)cc4Cl)N(C)C)cc2)cc1 |r| Show InChI InChI=1S/C54H66Cl4N8O12S2/c1-65(2)49-33-43-45(29-35(55)31-47(43)57)51(49)77-39-9-13-41(14-10-39)79(69,70)61-19-23-75-27-25-73-21-17-59-53(67)63-37-5-7-38(8-6-37)64-54(68)60-18-22-74-26-28-76-24-20-62-80(71,72)42-15-11-40(12-16-42)78-52-46-30-36(56)32-48(58)44(46)34-50(52)66(3)4/h5-16,29-32,49-52,61-62H,17-28,33-34H2,1-4H3,(H2,59,63,67)(H2,60,64,68)/t49-,50-,51-,52-/m0/s1	PDB UniProtKB/SwissProt 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