BDBM50313780 (S)-benzyl 2-(4-aminophenyl)-1-cyanoethylcarbamate::CHEMBL1089375

SMILES: Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C#N)cc1

InChI Key: InChIKey=ZWAYJLQYDULZLY-INIZCTEOSA-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 = 50313780   

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
Metacaspase (Trypanosoma brucei)	BDBM50313780 ((S)-benzyl 2-(4-aminophenyl)-1-cyanoethylcarbamate...) Show SMILES Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C#N)cc1 |r| Show InChI InChI=1S/C17H17N3O2/c18-11-16(10-13-6-8-15(19)9-7-13)20-17(21)22-12-14-4-2-1-3-5-14/h1-9,16H,10,12,19H2,(H,20,21)/t16-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei MAC2				Bioorg Med Chem Lett 20: 2001-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.099 BindingDB Entry DOI: 10.7270/Q2BG2P5T
					More data for this Ligand-Target Pair