BDBM50313777 CHEMBL1082042::benzyl 1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate

SMILES: [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1

InChI Key: InChIKey=ONEVZGWHVFRBRW-BGERDNNASA-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 = 50313777   

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)	BDBM50313777 (CHEMBL1082042 | benzyl 1-((S)-1-(benzo[d]thiazol-2...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H34N6O4S/c1-17(2)15-21(33-27(36)37-16-18-9-4-3-5-10-18)24(35)31-20(12-8-14-30-26(28)29)23(34)25-32-19-11-6-7-13-22(19)38-25/h3-7,9-11,13,17,20-21H,8,12,14-16H2,1-2H3,(H,31,35)(H,33,36)(H4,28,29,30)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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