null

SMILES: O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1

InChI Key: InChIKey=BZEQTXGNCCKNKH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 250808   

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 channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM250808 (US9452986, 112) Show SMILES O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI InChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	37
AbbVie Inc. US Patent					Assay Description Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...				US Patent US9452986 (2016) BindingDB Entry DOI: 10.7270/Q2MS3RQS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM250808 (US9452986, 112) Show SMILES O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI InChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair
Sodium channel protein type 7 subunit alpha (Homo sapiens (Human))	BDBM250808 (US9452986, 112) Show SMILES O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 Show InChI InChI=1S/C21H18N4O2/c22-14-15-1-4-17(5-2-15)27-18-6-8-19-16(13-18)3-7-20(24-19)21(26)25-11-9-23-10-12-25/h1-8,13,23H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116743 BindingDB Entry DOI: 10.7270/Q2BP06V9
					More data for this Ligand-Target Pair