Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381758'   

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))	BDBM381758 (US10272079, Compound 115) Show SMILES CN(C)[C@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N(C)C)cc1 |r| Show InChI InChI=1S/C52H74N8O12S2/c1-59(2)47-37-39-11-5-7-13-45(39)49(47)71-41-15-19-43(20-16-41)73(63,64)57-27-31-69-35-33-67-29-25-55-51(61)53-23-9-10-24-54-52(62)56-26-30-68-34-36-70-32-28-58-74(65,66)44-21-17-42(18-22-44)72-50-46-14-8-6-12-40(46)38-48(50)60(3)4/h5-8,11-22,47-50,57-58H,9-10,23-38H2,1-4H3,(H2,53,55,61)(H2,54,56,62)/t47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82	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)	BDBM381758 (US10272079, Compound 115) Show SMILES CN(C)[C@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N(C)C)cc1 |r| Show InChI InChI=1S/C52H74N8O12S2/c1-59(2)47-37-39-11-5-7-13-45(39)49(47)71-41-15-19-43(20-16-41)73(63,64)57-27-31-69-35-33-67-29-25-55-51(61)53-23-9-10-24-54-52(62)56-26-30-68-34-36-70-32-28-58-74(65,66)44-21-17-42(18-22-44)72-50-46-14-8-6-12-40(46)38-48(50)60(3)4/h5-8,11-22,47-50,57-58H,9-10,23-38H2,1-4H3,(H2,53,55,61)(H2,54,56,62)/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