BDBM50103592 CHEMBL3337602

SMILES: COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ncc4c3)c3cccn-23)c1

InChI Key: InChIKey=KKTWWKRTTJOZAV-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 = 50103592   

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))	BDBM50103592 (CHEMBL3337602) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ncc4c3)c3cccn-23)c1 Show InChI InChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.81E+3	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))	BDBM50103592 (CHEMBL3337602) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc4n(C)ncc4c3)c3cccn-23)c1 Show InChI InChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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