Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381814'   

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))	BDBM381814 (US10272079, Compound 171) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCN(C)S(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C53H72Cl4N8O12S2/c1-63(2)48-34-42-44(30-36(54)32-46(42)56)50(48)76-38-8-12-40(13-9-38)78(68,69)62-20-24-74-27-26-72-22-18-60-52(66)58-16-6-7-17-59-53(67)61-19-23-73-28-29-75-25-21-65(5)79(70,71)41-14-10-39(11-15-41)77-51-45-31-37(55)33-47(57)43(45)35-49(51)64(3)4/h8-15,30-33,48-51,62H,6-7,16-29,34-35H2,1-5H3,(H2,58,60,66)(H2,59,61,67)/t48-,49-,50-,51-/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
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