BDBM50066066 (S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidin-1-yl]-3-(3,4-difluoro-phenoxy)-propan-2-ol::1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidin-1-yl]-3-(3,4-difluoro-phenoxy)-propan-2-ol(Lubeluzole)::CHEMBL281724::LUBELUZOLE

SMILES: CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1

InChI Key: InChIKey=OZFSWVOEXHGDES-INIZCTEOSA-N

Data: 1 KI  2 IC50  1 Kd

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 = 50066066   

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 I I alpha subunit (Rattus norvegicus)	BDBM50066066 ((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...) Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomes				J Med Chem 45: 3755-64 (2002) Article DOI: 10.1021/jm020875j BindingDB Entry DOI: 10.7270/Q2ZS308Z
					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Rattus norvegicus)	BDBM50066066 ((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...) Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory effect against veratridine-induced glutamate release from rat brain slices				J Med Chem 45: 3755-64 (2002) Article DOI: 10.1021/jm020875j BindingDB Entry DOI: 10.7270/Q2ZS308Z
					More data for this Ligand-Target Pair
Calmodulin (Bos taurus)	BDBM50066066 ((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...) Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis				Eur J Med Chem 116: 36-45 (2016) BindingDB Entry DOI: 10.7270/Q2Q2424Z
					More data for this Ligand-Target Pair
Sodium channel protein type II alpha subunit (Rattus norvegicus)	BDBM50066066 ((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...) Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge NeuroScience Inc. Curated by ChEMBL					Assay Description In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)				J Med Chem 41: 3048-61 (1998) Article DOI: 10.1021/jm980124a BindingDB Entry DOI: 10.7270/Q2R49RF5
					More data for this Ligand-Target Pair