null

SMILES: CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCC(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)NC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc(Cl)cc(Cl)c2C1

InChI Key: InChIKey=XWHKPBGXRDTUHZ-FUHXMMTFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 381810   

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))	BDBM381810 (US10272079, Compound 167) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCC(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)NC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C86H120Cl6N14O21S3/c1-104-50-69(66-43-60(87)46-75(90)72(66)53-104)57-10-4-13-63(40-57)128(116,117)100-25-31-125-37-34-122-28-22-96-82(112)93-19-7-16-86(103-85(115)99-49-78(108)80(110)81(111)79(109)56-107,17-8-20-94-83(113)97-23-29-123-35-38-126-32-26-101-129(118,119)64-14-5-11-58(41-64)70-51-105(2)54-73-67(70)44-61(88)47-76(73)91)18-9-21-95-84(114)98-24-30-124-36-39-127-33-27-102-130(120,121)65-15-6-12-59(42-65)71-52-106(3)55-74-68(71)45-62(89)48-77(74)92/h4-6,10-15,40-48,69-71,78-81,100-102,107-111H,7-9,16-39,49-56H2,1-3H3,(H2,93,96,112)(H2,94,97,113)(H2,95,98,114)(H2,99,103,115)/t69-,70-,71-,78-,79+,80+,81+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.27	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)	BDBM381810 (US10272079, Compound 167) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCC(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)NC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C86H120Cl6N14O21S3/c1-104-50-69(66-43-60(87)46-75(90)72(66)53-104)57-10-4-13-63(40-57)128(116,117)100-25-31-125-37-34-122-28-22-96-82(112)93-19-7-16-86(103-85(115)99-49-78(108)80(110)81(111)79(109)56-107,17-8-20-94-83(113)97-23-29-123-35-38-126-32-26-101-129(118,119)64-14-5-11-58(41-64)70-51-105(2)54-73-67(70)44-61(88)47-76(73)91)18-9-21-95-84(114)98-24-30-124-36-39-127-33-27-102-130(120,121)65-15-6-12-59(42-65)71-52-106(3)55-74-68(71)45-62(89)48-77(74)92/h4-6,10-15,40-48,69-71,78-81,100-102,107-111H,7-9,16-39,49-56H2,1-3H3,(H2,93,96,112)(H2,94,97,113)(H2,95,98,114)(H2,99,103,115)/t69-,70-,71-,78-,79+,80+,81+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+3	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