BDBM50237499 CHEMBL4076627::US10836758, Example 19

SMILES: N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1

InChI Key: InChIKey=DFEQMISWGAIGSL-AOOOYVTPSA-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 = 50237499   

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))	BDBM50237499 (CHEMBL4076627 | US10836758, Example 19) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)| Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237499 (CHEMBL4076627 | US10836758, Example 19) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)| Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237499 (CHEMBL4076627 | US10836758, Example 19) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)| Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50237499 (CHEMBL4076627 | US10836758, Example 19) Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)| Show InChI InChI=1S/C15H19ClFN5O2S2/c16-11-5-14(26(23,24)22-15-20-8-21-25-15)12(17)6-13(11)19-7-9-1-3-10(18)4-2-9/h5-6,8-10,19H,1-4,7,18H2,(H,20,21,22)/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current at -50 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair