Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381684'   

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))	BDBM381684 (US10272079, Compound 41) Show SMILES CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12)CC(O)=O Show InChI InChI=1S/C43H65ClN12O11/c1-53(30-38(58)59)10-11-55(31-39(60)61)29-37(57)47-7-17-63-21-22-64-18-8-48-43(62)49-9-19-65-23-25-67-26-24-66-20-16-54-12-14-56(15-13-54)34-4-2-3-32(27-34)40-35-28-33(44)5-6-36(35)50-42(51-40)52-41(45)46/h2-6,27-28H,7-26,29-31H2,1H3,(H,47,57)(H,58,59)(H,60,61)(H2,48,49,62)(H4,45,46,50,51,52)	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)	BDBM381684 (US10272079, Compound 41) Show SMILES CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12)CC(O)=O Show InChI InChI=1S/C43H65ClN12O11/c1-53(30-38(58)59)10-11-55(31-39(60)61)29-37(57)47-7-17-63-21-22-64-18-8-48-43(62)49-9-19-65-23-25-67-26-24-66-20-16-54-12-14-56(15-13-54)34-4-2-3-32(27-34)40-35-28-33(44)5-6-36(35)50-42(51-40)52-41(45)46/h2-6,27-28H,7-26,29-31H2,1H3,(H,47,57)(H,58,59)(H,60,61)(H2,48,49,62)(H4,45,46,50,51,52)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	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