BDBM50235512 CHEMBL401343::tert-butyl (R)-1-((R)-5-(cyclopropylmethyl)-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-3-(2-fluorophenyl)-1-oxopropan-2-ylcarbamate

SMILES: CN1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=BMPKCLXVJIFQPK-FGZHOGPDSA-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 = 50235512   

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))	BDBM50235512 (CHEMBL401343 | tert-butyl (R)-1-((R)-5-(cyclopropy...) Show SMILES CN1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C28H35FN4O4/c1-28(2,3)37-27(36)31-21(15-19-9-5-6-10-20(19)29)25(34)30-22-17-33(16-18-13-14-18)24-12-8-7-11-23(24)32(4)26(22)35/h5-12,18,21-22H,13-17H2,1-4H3,(H,30,34)(H,31,36)/t21-,22-/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	49	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