BDBM50378275 CHEMBL582897

SMILES: C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12

InChI Key: InChIKey=KLKZNHVHIVNCKY-FTJBHMTQSA-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 = 50378275   

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)	BDBM50378275 (CHEMBL582897) Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:36.37| Show InChI InChI=1S/C37H44N8O8/c1-25(40-36(51)43-18-20-44(21-19-43)37(52)53-24-27-10-5-4-6-11-27)34(49)39-26(2)35(50)41-45(23-31(38)46)33(48)17-16-32(47)42(3)22-29-14-9-13-28-12-7-8-15-30(28)29/h4-17,25-26H,18-24H2,1-3H3,(H2,38,46)(H,39,49)(H,40,51)(H,41,50)/t25-,26+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	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