BDBM50237515 CHEMBL4062566

SMILES: N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1

InChI Key: InChIKey=RUFOCWIZLKLQEG-MIRVZWSXSA-N

Data: 3 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 3 hits for monomerid = 50237515   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237515 (CHEMBL4062566) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22+	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	680	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 9 subunit alpha (Homo sapiens (Human))	BDBM50237515 (CHEMBL4062566) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	473	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 5 subunit alpha (Homo sapiens (Human))	BDBM50237515 (CHEMBL4062566) Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)| Show InChI InChI=1S/C22H24F2N4O3S2/c23-17-13-20(33(29,30)28-21-26-14-27-32-21)18(24)12-19(17)31-11-10-22(8-6-16(25)7-9-22)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,25H2,(H,26,27,28)/t16-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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