null

SMILES: CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=NANRUWCXTIKXCL-LFFPZLFSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095647   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50095647 (CHEMBL3590450) Show SMILES CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C78H112N22O18/c1-5-6-19-52(92-75(116)61(41-102)98-72(113)57(34-46-24-26-49(104)27-25-46)95-74(115)60(40-101)89-44(4)103)68(109)93-54(28-29-63(80)105)70(111)97-59(36-48-38-84-42-88-48)73(114)94-56(33-45-16-8-7-9-17-45)71(112)91-53(22-14-31-85-78(82)83)69(110)96-58(35-47-37-86-51-20-11-10-18-50(47)51)67(108)87-39-64(106)90-55(21-12-13-30-79)77(118)100-32-15-23-62(100)76(117)99-65(43(2)3)66(81)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,86,101-102,104H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,105)(H2,81,107)(H,84,88)(H,87,108)(H,89,103)(H,90,106)(H,91,112)(H,92,116)(H,93,109)(H,94,114)(H,95,115)(H,96,110)(H,97,111)(H,98,113)(H,99,117)(H4,82,83,85)/t52?,53?,54?,55?,56?,57-,58?,59?,60-,61-,62?,65?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay				J Med Chem 58: 5916-29 (2015) Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50095647 (CHEMBL3590450) Show SMILES CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C78H112N22O18/c1-5-6-19-52(92-75(116)61(41-102)98-72(113)57(34-46-24-26-49(104)27-25-46)95-74(115)60(40-101)89-44(4)103)68(109)93-54(28-29-63(80)105)70(111)97-59(36-48-38-84-42-88-48)73(114)94-56(33-45-16-8-7-9-17-45)71(112)91-53(22-14-31-85-78(82)83)69(110)96-58(35-47-37-86-51-20-11-10-18-50(47)51)67(108)87-39-64(106)90-55(21-12-13-30-79)77(118)100-32-15-23-62(100)76(117)99-65(43(2)3)66(81)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,86,101-102,104H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,105)(H2,81,107)(H,84,88)(H,87,108)(H,89,103)(H,90,106)(H,91,112)(H,92,116)(H,93,109)(H,94,114)(H,95,115)(H,96,110)(H,97,111)(H,98,113)(H,99,117)(H4,82,83,85)/t52?,53?,54?,55?,56?,57-,58?,59?,60-,61-,62?,65?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...				J Med Chem 58: 5916-29 (2015) Article DOI: 10.1021/acs.jmedchem.5b00518 BindingDB Entry DOI: 10.7270/Q2FX7C6V
					More data for this Ligand-Target Pair