Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381783'   

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 (Rattus norvegicus)	BDBM381783 (US10272079, Compound 140) Show SMILES Fc1ccc2C[C@@H]([C@@H](Oc3ccc(cc3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(O[C@@H]4[C@H](Cc5ccc(F)cc45)N4CCCCC4)cc3)c2c1)N1CCCCC1 |r| Show InChI InChI=1S/C58H80F2N8O12S2/c59-45-11-9-43-39-53(67-27-5-1-6-28-67)55(51(43)41-45)79-47-13-17-49(18-14-47)81(71,72)65-25-33-77-37-35-75-31-23-63-57(69)61-21-3-4-22-62-58(70)64-24-32-76-36-38-78-34-26-66-82(73,74)50-19-15-48(16-20-50)80-56-52-42-46(60)12-10-44(52)40-54(56)68-29-7-2-8-30-68/h9-20,41-42,53-56,65-66H,1-8,21-40H2,(H2,61,63,69)(H2,62,64,70)/t53-,54-,55-,56-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.26	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 (Homo sapiens (Human))	BDBM381783 (US10272079, Compound 140) Show SMILES Fc1ccc2C[C@@H]([C@@H](Oc3ccc(cc3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(O[C@@H]4[C@H](Cc5ccc(F)cc45)N4CCCCC4)cc3)c2c1)N1CCCCC1 |r| Show InChI InChI=1S/C58H80F2N8O12S2/c59-45-11-9-43-39-53(67-27-5-1-6-28-67)55(51(43)41-45)79-47-13-17-49(18-14-47)81(71,72)65-25-33-77-37-35-75-31-23-63-57(69)61-21-3-4-22-62-58(70)64-24-32-76-36-38-78-34-26-66-82(73,74)50-19-15-48(16-20-50)80-56-52-42-46(60)12-10-44(52)40-54(56)68-29-7-2-8-30-68/h9-20,41-42,53-56,65-66H,1-8,21-40H2,(H2,61,63,69)(H2,62,64,70)/t53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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