BDBM50378247 CHEMBL584157

SMILES: C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=GREPGUVVNARRHI-SYUUKGODSA-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 = 50378247   

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)	BDBM50378247 (CHEMBL584157) Show SMILES C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C31H40N8O7/c1-20(35-31(45)37-15-13-33-14-16-37)27(41)34-21(2)28(42)36-39(19-24(32)40)30(44)26-25(46-26)29(43)38(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,20-21,25-26,33H,13-19H2,1-2H3,(H2,32,40)(H,34,41)(H,35,45)(H,36,42)/t20-,21+,25+,26+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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