BDBM50216661 CHEMBL247647::tert-butyl (R)-3-(3-fluoro-2-(trifluoromethyl)phenyl)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxopropan-2-ylcarbamate

SMILES: CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2C(F)(F)F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=SSLUYBNMMZMXPZ-NHCUHLMSSA-N

Data: 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 1 hit for monomerid = 50216661   

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))	BDBM50216661 (CHEMBL247647 | tert-butyl (R)-3-(3-fluoro-2-(trifl...) Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2C(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C28H33F4N3O4/c1-16(2)35-22-12-7-6-9-17(22)13-14-20(25(35)37)33-24(36)21(34-26(38)39-27(3,4)5)15-18-10-8-11-19(29)23(18)28(30,31)32/h6-12,16,20-21H,13-15H2,1-5H3,(H,33,36)(H,34,38)/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Blockade of human Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
					More data for this Ligand-Target Pair