BDBM50313778 CHEMBL1082043::benzyl 1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylcarbamate

SMILES: [#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=MJNLRXMOZWFUEW-ZQRQZVKFSA-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 = 50313778   

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)	BDBM50313778 (CHEMBL1082043 | benzyl 1-((S)-1-(benzo[d]thiazol-2...) Show SMILES [#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/C26H32N6O4S/c1-16(2)21(32-26(35)36-15-17-9-4-3-5-10-17)23(34)30-19(12-8-14-29-25(27)28)22(33)24-31-18-11-6-7-13-20(18)37-24/h3-7,9-11,13,16,19,21H,8,12,14-15H2,1-2H3,(H,30,34)(H,32,35)(H4,27,28,29)/t19-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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