null

SMILES: C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1

InChI Key: InChIKey=FKGBDYKCOHLSSI-OYHSWFHJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50237503   

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 5 subunit alpha (Homo sapiens (Human))	BDBM50237503 (CHEMBL4093720) Show SMILES C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)| Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237503 (CHEMBL4093720) Show SMILES C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)| Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237503 (CHEMBL4093720) Show SMILES C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)| Show InChI InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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