BDBM50287590 CHEMBL291936::N-((S)-1-Benzyl-2,2-difluoro-but-3-enyl)-acetamide

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C=C

InChI Key: InChIKey=GZPRERVKBQINNQ-LBPRGKRZSA-N

Data: 1 KI

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 = 50287590   

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
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50287590 (CHEMBL291936 | N-((S)-1-Benzyl-2,2-difluoro-but-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C=C Show InChI InChI=1S/C13H15F2NO/c1-3-13(14,15)12(16-10(2)17)9-11-7-5-4-6-8-11/h3-8,12H,1,9H2,2H3,(H,16,17)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
					More data for this Ligand-Target Pair