BDBM50103577 CHEMBL3337587

SMILES: COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F

InChI Key: InChIKey=NESLCFXDKPAXII-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 = 50103577   

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))	BDBM50103577 (CHEMBL3337587) Show SMILES COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F Show InChI InChI=1S/C26H29FN4O3/c1-29(2)21-14-17(7-8-22(21)33-3)25(32)30-12-9-26(10-13-30)24-6-5-11-31(24)20-15-18(27)23(34-4)16-19(20)28-26/h5-8,11,14-16,28H,9-10,12-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	358	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))	BDBM50103577 (CHEMBL3337587) Show SMILES COc1cc2NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn3-c2cc1F Show InChI InChI=1S/C26H29FN4O3/c1-29(2)21-14-17(7-8-22(21)33-3)25(32)30-12-9-26(10-13-30)24-6-5-11-31(24)20-15-18(27)23(34-4)16-19(20)28-26/h5-8,11,14-16,28H,9-10,12-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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