BDBM50390086 CHEMBL2069417

SMILES: COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1

InChI Key: InChIKey=ZBTWXCSGAHBTJU-INIZCTEOSA-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 = 50390086   

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))	BDBM50390086 (CHEMBL2069417) Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r| Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)10-11-28-2)21(27)23-16-12-18-17(15-6-8-22-9-7-15)4-3-5-19(18)29-13-16/h3-9,16H,10-13H2,1-2H3,(H,23,27)/t16-/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	>3.16E+4	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50390086 (CHEMBL2069417) Show SMILES COCCn1nc(C)c(n1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r| Show InChI InChI=1S/C21H23N5O3/c1-14-20(25-26(24-14)10-11-28-2)21(27)23-16-12-18-17(15-6-8-22-9-7-15)4-3-5-19(18)29-13-16/h3-9,16H,10-13H2,1-2H3,(H,23,27)/t16-/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	2.51E+4	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