null

SMILES: CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1

InChI Key: InChIKey=BYNGXNVERRUMKS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 241121   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241121 (US9409895, 32 | US9630945, 32) Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241121 (US9409895, 32 | US9630945, 32) Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241121 (US9409895, 32 | US9630945, 32) Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM241121 (US9409895, 32 | US9630945, 32) Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting method				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM241121 (US9409895, 32 | US9630945, 32) Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1 Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells at -90 mV holding potential by Qpatch clamp assay				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair