BDBM50103584 CHEMBL3337595

SMILES: COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N3CCCC3)c3cccn-23)c1

InChI Key: InChIKey=RCPKTZHXPBTTTM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50103584   

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 5 subunit alpha (Homo sapiens (Human))	BDBM50103584 (CHEMBL3337595) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N3CCCC3)c3cccn-23)c1 Show InChI InChI=1S/C28H32N4O3/c1-34-21-8-9-23-22(19-21)29-28(26-6-5-15-32(23)26)11-16-31(17-12-28)27(33)20-7-10-25(35-2)24(18-20)30-13-3-4-14-30/h5-10,15,18-19,29H,3-4,11-14,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 expressed in HEK293 cells after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4958-62 (2014) BindingDB Entry DOI: 10.7270/Q21Z465T
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50103584 (CHEMBL3337595) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N3CCCC3)c3cccn-23)c1 Show InChI InChI=1S/C28H32N4O3/c1-34-21-8-9-23-22(19-21)29-28(26-6-5-15-32(23)26)11-16-31(17-12-28)27(33)20-7-10-25(35-2)24(18-20)30-13-3-4-14-30/h5-10,15,18-19,29H,3-4,11-14,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4958-62 (2014) BindingDB Entry DOI: 10.7270/Q21Z465T
					More data for this Ligand-Target Pair