Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/hydrogen exchanger 3' and Ligand = 'BDBM381793'   

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)	BDBM381793 (US10272079, Compound 150) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C50H64Cl4N6O14S2/c1-59(2)43-29-37-39(25-31(51)27-41(37)53)47(43)73-33-5-9-35(10-6-33)75(65,66)57-15-19-71-23-21-69-17-13-55-49(63)45(61)46(62)50(64)56-14-18-70-22-24-72-20-16-58-76(67,68)36-11-7-34(8-12-36)74-48-40-26-32(52)28-42(54)38(40)30-44(48)60(3)4/h5-12,25-28,43-48,57-58,61-62H,13-24,29-30H2,1-4H3,(H,55,63)(H,56,64)/t43-,44-,45+,46+,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	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))	BDBM381793 (US10272079, Compound 150) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C50H64Cl4N6O14S2/c1-59(2)43-29-37-39(25-31(51)27-41(37)53)47(43)73-33-5-9-35(10-6-33)75(65,66)57-15-19-71-23-21-69-17-13-55-49(63)45(61)46(62)50(64)56-14-18-70-22-24-72-20-16-58-76(67,68)36-11-7-34(8-12-36)74-48-40-26-32(52)28-42(54)38(40)30-44(48)60(3)4/h5-12,25-28,43-48,57-58,61-62H,13-24,29-30H2,1-4H3,(H,55,63)(H,56,64)/t43-,44-,45+,46+,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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