Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381809'   

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))	BDBM381809 (US10272079, Compound 166) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2F)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3F)N(C)C)cc1 |r| Show InChI InChI=1S/C52H70Cl2F2N8O12S2/c1-63(2)47-33-41-43(29-35(53)31-45(41)55)49(47)75-37-7-11-39(12-8-37)77(67,68)61-19-23-73-27-25-71-21-17-59-51(65)57-15-5-6-16-58-52(66)60-18-22-72-26-28-74-24-20-62-78(69,70)40-13-9-38(10-14-40)76-50-44-30-36(54)32-46(56)42(44)34-48(50)64(3)4/h7-14,29-32,47-50,61-62H,5-6,15-28,33-34H2,1-4H3,(H2,57,59,65)(H2,58,60,66)/t47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	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)	BDBM381809 (US10272079, Compound 166) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2F)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3F)N(C)C)cc1 |r| Show InChI InChI=1S/C52H70Cl2F2N8O12S2/c1-63(2)47-33-41-43(29-35(53)31-45(41)55)49(47)75-37-7-11-39(12-8-37)77(67,68)61-19-23-73-27-25-71-21-17-59-51(65)57-15-5-6-16-58-52(66)60-18-22-72-26-28-74-24-20-62-78(69,70)40-13-9-38(10-14-40)76-50-44-30-36(54)32-46(56)42(44)34-48(50)64(3)4/h7-14,29-32,47-50,61-62H,5-6,15-28,33-34H2,1-4H3,(H2,57,59,65)(H2,58,60,66)/t47-,48-,49-,50-/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