BDBM50130517 CHEMBL3634325

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12

InChI Key: InChIKey=VMATVFNOMSFWNE-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50130517   

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 alpha subunit (Homo sapiens (Human))	BDBM50130517 (CHEMBL3634325) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay				Bioorg Med Chem Lett 25: 5419-23 (2015) BindingDB Entry DOI: 10.7270/Q2930W06
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50130517 (CHEMBL3634325) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay				Bioorg Med Chem Lett 25: 5419-23 (2015) BindingDB Entry DOI: 10.7270/Q2930W06
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50130517 (CHEMBL3634325) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay				Bioorg Med Chem Lett 25: 5419-23 (2015) BindingDB Entry DOI: 10.7270/Q2930W06
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50130517 (CHEMBL3634325) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay				Bioorg Med Chem Lett 25: 5419-23 (2015) BindingDB Entry DOI: 10.7270/Q2930W06
					More data for this Ligand-Target Pair