BDBM381759 US10272079, Compound 116

SMILES: CN(C)[C@H]1Cc2ccc(Cl)cc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N(C)C)cc1

InChI Key: InChIKey=OJQHQFRKWKEPCP-SIAPTGDMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 381759   

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))	BDBM381759 (US10272079, Compound 116) Show SMILES CN(C)[C@H]1Cc2ccc(Cl)cc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N(C)C)cc1 |r| Show InChI InChI=1S/C52H72Cl2N8O12S2/c1-61(2)47-33-37-7-9-39(53)35-45(37)49(47)73-41-11-15-43(16-12-41)75(65,66)59-23-27-71-31-29-69-25-21-57-51(63)55-19-5-6-20-56-52(64)58-22-26-70-30-32-72-28-24-60-76(67,68)44-17-13-42(14-18-44)74-50-46-36-40(54)10-8-38(46)34-48(50)62(3)4/h7-18,35-36,47-50,59-60H,5-6,19-34H2,1-4H3,(H2,55,57,63)(H2,56,58,64)/t47-,48-,49-,50-/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)	BDBM381759 (US10272079, Compound 116) Show SMILES CN(C)[C@H]1Cc2ccc(Cl)cc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N(C)C)cc1 |r| Show InChI InChI=1S/C52H72Cl2N8O12S2/c1-61(2)47-33-37-7-9-39(53)35-45(37)49(47)73-41-11-15-43(16-12-41)75(65,66)59-23-27-71-31-29-69-25-21-57-51(63)55-19-5-6-20-56-52(64)58-22-26-70-30-32-72-28-24-60-76(67,68)44-17-13-42(14-18-44)74-50-46-36-40(54)10-8-38(46)34-48(50)62(3)4/h7-18,35-36,47-50,59-60H,5-6,19-34H2,1-4H3,(H2,55,57,63)(H2,56,58,64)/t47-,48-,49-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	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