BDBM50418788 CHEMBL1797392

SMILES: Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=RCRIKUQWNCZJIN-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 = 50418788   

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))	BDBM50418788 (CHEMBL1797392) Show SMILES Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl |(15.59,-15.68,;14.69,-16.93,;13.15,-16.94,;12.67,-18.4,;13.92,-19.31,;15.17,-18.39,;16.63,-18.86,;17.95,-18.07,;17.92,-16.53,;19.3,-18.82,;20.62,-18.02,;21.97,-18.77,;23.27,-17.97,;24.62,-18.71,;24.65,-20.26,;26,-21.01,;27.32,-20.21,;28.78,-20.7,;29.69,-19.46,;28.8,-18.2,;27.33,-18.67,;23.33,-21.05,;21.98,-20.31,;13.93,-20.85,;12.6,-21.62,;11.26,-20.85,;12.6,-23.17,;13.93,-23.94,;15.27,-23.17,;15.26,-21.62,;16.59,-20.84,)| Show InChI InChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay				Bioorg Med Chem Lett 21: 3871-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.041 BindingDB Entry DOI: 10.7270/Q21837RK
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50418788 (CHEMBL1797392) Show SMILES Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl |(15.59,-15.68,;14.69,-16.93,;13.15,-16.94,;12.67,-18.4,;13.92,-19.31,;15.17,-18.39,;16.63,-18.86,;17.95,-18.07,;17.92,-16.53,;19.3,-18.82,;20.62,-18.02,;21.97,-18.77,;23.27,-17.97,;24.62,-18.71,;24.65,-20.26,;26,-21.01,;27.32,-20.21,;28.78,-20.7,;29.69,-19.46,;28.8,-18.2,;27.33,-18.67,;23.33,-21.05,;21.98,-20.31,;13.93,-20.85,;12.6,-21.62,;11.26,-20.85,;12.6,-23.17,;13.93,-23.94,;15.27,-23.17,;15.26,-21.62,;16.59,-20.84,)| Show InChI InChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Nav1.5 by cell based whole-cell voltage clamp electrophysiology assay				Bioorg Med Chem Lett 21: 3871-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.041 BindingDB Entry DOI: 10.7270/Q21837RK
					More data for this Ligand-Target Pair