BDBM50149952 CHEMBL3770851

SMILES: C[C@@H](NC(=O)OCC(F)(F)F)c1nc2ccc(F)cc2s1

InChI Key: InChIKey=DPROMYPNLAQOTF-MUUNZHRXSA-N

Data: 2 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 = 50149952   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50149952 (CHEMBL3770851) Show SMILES C[C@@H](NC(=O)OCC(F)(F)F)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C32H38BrN5O4/c1-37(18-19-42-2)22-25-8-4-5-9-27(25)23-10-12-24(13-11-23)31(40)35-28(32(41)38-16-6-3-7-17-38)20-30(39)36-29-15-14-26(33)21-34-29/h4-5,8-15,21,28H,3,6-7,16-20,22H2,1-2H3,(H,35,40)(H,34,36,39)/t28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) BindingDB Entry DOI: 10.7270/Q2XW4MPW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50149952 (CHEMBL3770851) Show SMILES C[C@@H](NC(=O)OCC(F)(F)F)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C32H38BrN5O4/c1-37(18-19-42-2)22-25-8-4-5-9-27(25)23-10-12-24(13-11-23)31(40)35-28(32(41)38-16-6-3-7-17-38)20-30(39)36-29-15-14-26(33)21-34-29/h4-5,8-15,21,28H,3,6-7,16-20,22H2,1-2H3,(H,35,40)(H,34,36,39)/t28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) BindingDB Entry DOI: 10.7270/Q2XW4MPW
					More data for this Ligand-Target Pair