null

SMILES: CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CC(O)=O)c2cc(Cl)cc(Cl)c2C1

InChI Key: InChIKey=RGKGUYUTRZOCGU-WLTNIFSVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 381710   

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))	BDBM381710 (US10272079, Compound 67) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CC(O)=O)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C58H78Cl4N8O16S2/c1-67-33-49(47-29-43(59)31-53(61)51(47)35-67)41-5-3-7-45(27-41)87(77,78)65-11-17-83-21-25-85-23-19-81-15-9-63-55(71)37-69(39-57(73)74)13-14-70(40-58(75)76)38-56(72)64-10-16-82-20-24-86-26-22-84-18-12-66-88(79,80)46-8-4-6-42(28-46)50-34-68(2)36-52-48(50)30-44(60)32-54(52)62/h3-8,27-32,49-50,65-66H,9-26,33-40H2,1-2H3,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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)	BDBM381710 (US10272079, Compound 67) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CC(O)=O)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C58H78Cl4N8O16S2/c1-67-33-49(47-29-43(59)31-53(61)51(47)35-67)41-5-3-7-45(27-41)87(77,78)65-11-17-83-21-25-85-23-19-81-15-9-63-55(71)37-69(39-57(73)74)13-14-70(40-58(75)76)38-56(72)64-10-16-82-20-24-86-26-22-84-18-12-66-88(79,80)46-8-4-6-42(28-46)50-34-68(2)36-52-48(50)30-44(60)32-54(52)62/h3-8,27-32,49-50,65-66H,9-26,33-40H2,1-2H3,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t49-,50-/m0/s1	PDB UniProtKB/SwissProt 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