BDBM50130518 CHEMBL3634326

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12

InChI Key: InChIKey=NNRBEHWLAFGHPH-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 = 50130518   

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))	BDBM50130518 (CHEMBL3634326) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12 Show InChI InChI=1S/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	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))	BDBM50130518 (CHEMBL3634326) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12 Show InChI InChI=1S/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	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)	BDBM50130518 (CHEMBL3634326) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12 Show InChI InChI=1S/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	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))	BDBM50130518 (CHEMBL3634326) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12 Show InChI InChI=1S/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	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