BDBM50066430 2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine::2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine(BW619C89)::CHEMBL28854::SIPATRIGINE

SMILES: CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl

InChI Key: InChIKey=PDOCBJADCWMDGL-UHFFFAOYSA-N

Data: 1 KI  4 IC50  1 EC50

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 6 hits for monomerid = 50066430   

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)	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	4.00E+3	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 2 alpha subunit (Homo sapiens (Human))	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channel				Bioorg Med Chem Lett 5: 2259-2262 (1995) Article DOI: 10.1016/0960-894X(95)00392-7 BindingDB Entry DOI: 10.7270/Q200022B
					More data for this Ligand-Target Pair
Sodium channel protein type II alpha subunit (Rattus norvegicus)	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge NeuroScience, Inc. Curated by ChEMBL					Assay Description Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain				J Med Chem 41: 3298-302 (1998) Article DOI: 10.1021/jm980134b BindingDB Entry DOI: 10.7270/Q2Q52Q8W
					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Rattus norvegicus)	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.79E+4	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
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	7.3	22
Korea Institute of Science and Technology					Assay Description The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...				Chem Biol Drug Des 88: 807-819 (2016) Article DOI: 10.1111/cbdd.12810 BindingDB Entry DOI: 10.7270/Q2S181B1
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50066430 (2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...) Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in HEK293 cells assessed as reversible current depression				J Med Chem 59: 5149-57 (2016) BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair