BDBM50235516 CHEMBL400293::tert-butyl (R)-1-((R)-5-(cyclopropylmethyl)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-3-(2,6-difluorophenyl)-1-oxopropan-2-ylcarbamate

SMILES: CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=PKXNOMQKFVMHAW-DNQXCXABSA-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 = 50235516   

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))	BDBM50235516 (CHEMBL400293 | tert-butyl (R)-1-((R)-5-(cyclopropy...) Show SMILES CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C30H38F2N4O4/c1-18(2)36-26-12-7-6-11-25(26)35(16-19-13-14-19)17-24(28(36)38)33-27(37)23(34-29(39)40-30(3,4)5)15-20-21(31)9-8-10-22(20)32/h6-12,18-19,23-24H,13-17H2,1-5H3,(H,33,37)(H,34,39)/t23-,24-/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	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay				Bioorg Med Chem Lett 18: 1963-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.123 BindingDB Entry DOI: 10.7270/Q24T6J4T
					More data for this Ligand-Target Pair