BDBM50349989 CHEMBL1813049

SMILES: CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C

InChI Key: InChIKey=SSYPIIPRUWAYCB-UHFFFAOYSA-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 = 50349989   

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))	BDBM50349989 (CHEMBL1813049) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C Show InChI InChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50349989 (CHEMBL1813049) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C Show InChI InChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human cardiac sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50349989 (CHEMBL1813049) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C Show InChI InChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair