null

SMILES: CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2C1

InChI Key: InChIKey=JYVIVVSFUFMQFZ-JZAWHBJUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 381739   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM381739 (US10272079, Compound 96) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H68Cl2N6O11S2/c1-59-36-46(45-34-40(53)35-48(54)47(45)37-59)38-9-7-10-43(32-38)73(65,66)58-21-27-70-31-29-68-25-19-56-51(62)17-16-50(61)55-18-24-67-28-30-69-26-20-57-72(63,64)42-14-12-41(13-15-42)71-52-44-11-4-3-8-39(44)33-49(52)60-22-5-2-6-23-60/h3-4,7-15,32,34-35,46,49,52,57-58H,2,5-6,16-31,33,36-37H2,1H3,(H,55,61)(H,56,62)/t46-,49-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	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)	BDBM381739 (US10272079, Compound 96) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H68Cl2N6O11S2/c1-59-36-46(45-34-40(53)35-48(54)47(45)37-59)38-9-7-10-43(32-38)73(65,66)58-21-27-70-31-29-68-25-19-56-51(62)17-16-50(61)55-18-24-67-28-30-69-26-20-57-72(63,64)42-14-12-41(13-15-42)71-52-44-11-4-3-8-39(44)33-49(52)60-22-5-2-6-23-60/h3-4,7-15,32,34-35,46,49,52,57-58H,2,5-6,16-31,33,36-37H2,1H3,(H,55,61)(H,56,62)/t46-,49-,52-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	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