BDBM50378287 CHEMBL584154

SMILES: C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12

InChI Key: InChIKey=XLRQHFHRLZDJMJ-IFOZNXLVSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378287   

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
Asparaginyl Endopeptidase (AE) (Ixodes ricinus)	BDBM50378287 (CHEMBL584154) Show SMILES C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12 |r| Show InChI InChI=1S/C28H35N7O8/c1-16(32-28(41)34-10-12-42-13-11-34)24(37)31-17(2)25(38)33-35(15-21(29)36)27(40)23-22(43-23)26(39)30-14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17,22-23H,10-15H2,1-2H3,(H2,29,36)(H,30,39)(H,31,37)(H,32,41)(H,33,38)/t16-,17+,22+,23+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Ixodes ricinus asparaginyl endopeptidases				J Med Chem 52: 7192-210 (2009) Article DOI: 10.1021/jm900849h BindingDB Entry DOI: 10.7270/Q20C4WQ3
					More data for this Ligand-Target Pair