BDBM50395344 CHEMBL2164037

SMILES: COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12

InChI Key: InChIKey=XMLGSGMGTMYMQE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50395344   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395344 (CHEMBL2164037) Show SMILES COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C25H22F3N3O4/c1-34-20-7-4-6-19-21(20)22(31(24(19)33)14-12-17-5-2-3-13-29-17)23(32)30-15-16-8-10-18(11-9-16)35-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in CHOK1 cells by IonWorks HT assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50395344 (CHEMBL2164037) Show SMILES COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C25H22F3N3O4/c1-34-20-7-4-6-19-21(20)22(31(24(19)33)14-12-17-5-2-3-13-29-17)23(32)30-15-16-8-10-18(11-9-16)35-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50395344 (CHEMBL2164037) Show SMILES COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C25H22F3N3O4/c1-34-20-7-4-6-19-21(20)22(31(24(19)33)14-12-17-5-2-3-13-29-17)23(32)30-15-16-8-10-18(11-9-16)35-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50395344 (CHEMBL2164037) Show SMILES COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C25H22F3N3O4/c1-34-20-7-4-6-19-21(20)22(31(24(19)33)14-12-17-5-2-3-13-29-17)23(32)30-15-16-8-10-18(11-9-16)35-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair