Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381707'   

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))	BDBM381707 (US10272079, Compound 64) Show SMILES CN(CCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12)CCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12 |r| Show InChI InChI=1S/C57H81Cl4N9O12S2/c1-68(18-6-12-62-56(71)64-14-20-77-24-28-81-30-26-79-22-16-66-83(73,74)46-10-4-8-42(32-46)50-38-69(2)40-52-48(50)34-44(58)36-54(52)60)19-7-13-63-57(72)65-15-21-78-25-29-82-31-27-80-23-17-67-84(75,76)47-11-5-9-43(33-47)51-39-70(3)41-53-49(51)35-45(59)37-55(53)61/h4-5,8-11,32-37,50-51,66-67H,6-7,12-31,38-41H2,1-3H3,(H2,62,64,71)(H2,63,65,72)/t50-,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
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381707 (US10272079, Compound 64) Show SMILES CN(CCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12)CCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12 |r| Show InChI InChI=1S/C57H81Cl4N9O12S2/c1-68(18-6-12-62-56(71)64-14-20-77-24-28-81-30-26-79-22-16-66-83(73,74)46-10-4-8-42(32-46)50-38-69(2)40-52-48(50)34-44(58)36-54(52)60)19-7-13-63-57(72)65-15-21-78-25-29-82-31-27-80-23-17-67-84(75,76)47-11-5-9-43(33-47)51-39-70(3)41-53-49(51)35-45(59)37-55(53)61/h4-5,8-11,32-37,50-51,66-67H,6-7,12-31,38-41H2,1-3H3,(H2,62,64,71)(H2,63,65,72)/t50-,51-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.8	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