BDBM50390074 CHEMBL2069399

SMILES: CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1

InChI Key: InChIKey=FJRDLZMPXZFWKP-FQEVSTJZSA-N

Data: 3 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 3 hits for monomerid = 50390074   

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 9 subunit alpha (Homo sapiens (Human))	BDBM50390074 (CHEMBL2069399) Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r| Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay				Bioorg Med Chem Lett 22: 5618-24 (2012) Article DOI: 10.1016/j.bmcl.2012.06.105 BindingDB Entry DOI: 10.7270/Q2ZC83ZX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50390074 (CHEMBL2069399) Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r| Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by IonWorks HT assay				Bioorg Med Chem Lett 22: 5618-24 (2012) Article DOI: 10.1016/j.bmcl.2012.06.105 BindingDB Entry DOI: 10.7270/Q2ZC83ZX
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50390074 (CHEMBL2069399) Show SMILES CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r| Show InChI InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay				Bioorg Med Chem Lett 22: 5618-24 (2012) Article DOI: 10.1016/j.bmcl.2012.06.105 BindingDB Entry DOI: 10.7270/Q2ZC83ZX
					More data for this Ligand-Target Pair