BDBM50378268 CHEMBL573433

SMILES: C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12

InChI Key: InChIKey=RYVOHLCKXJZXHQ-SXOMAYOGSA-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 = 50378268   

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)	BDBM50378268 (CHEMBL573433) Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26| Show InChI InChI=1S/C39H44N8O6/c1-26(43-39(53)45-21-19-41-20-22-45)37(51)42-27(2)38(52)44-47(25-34(40)48)36(50)18-17-35(49)46(23-30-13-7-11-28-9-3-5-15-32(28)30)24-31-14-8-12-29-10-4-6-16-33(29)31/h3-18,26-27,41H,19-25H2,1-2H3,(H2,40,48)(H,42,51)(H,43,53)(H,44,52)/t26-,27+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	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