BDBM50466967 CHEMBL4282994

SMILES: Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F

InChI Key: InChIKey=IDOXFDMTTMDZPL-ORYQWCPZSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50466967   

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))	BDBM50466967 (CHEMBL4282994) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-3-1-15(2-4-17)21-11-16(25(28,29)30)6-9-34(21)20-7-10-37-22-13-23(19(27)12-18(20)22)38(35,36)33-24-5-8-31-14-32-24/h1-5,8,12-14,16,20-21H,6-7,9-11H2,(H,31,32,33)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50466967 (CHEMBL4282994) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-3-1-15(2-4-17)21-11-16(25(28,29)30)6-9-34(21)20-7-10-37-22-13-23(19(27)12-18(20)22)38(35,36)33-24-5-8-31-14-32-24/h1-5,8,12-14,16,20-21H,6-7,9-11H2,(H,31,32,33)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Binding affinity to recombinant human Nav1.7 after 18 hrs by radioligand binding assay				Bioorg Med Chem Lett 28: 3141-3149 (2018) Article DOI: 10.1016/j.bmcl.2018.08.007 BindingDB Entry DOI: 10.7270/Q2VD724S
					More data for this Ligand-Target Pair