null

SMILES: OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1

InChI Key: InChIKey=VZFONDZSTSILTR-BPLYCLBXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 381691   

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 (Rattus norvegicus)	BDBM381691 (US10272079, Compound 48 | US10272079, Compound 65) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.2	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 (Homo sapiens (Human))	BDBM381691 (US10272079, Compound 48 | US10272079, Compound 65) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/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
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381691 (US10272079, Compound 48 | US10272079, Compound 65) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	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))	BDBM381691 (US10272079, Compound 48 | US10272079, Compound 65) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.4	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