BDBM50378263 CHEMBL573672

SMILES: C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12

InChI Key: InChIKey=JATGTBJMAVOTMJ-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 = 50378263   

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)	BDBM50378263 (CHEMBL573672) Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26| Show InChI InChI=1S/C39H43N7O7/c1-26(42-39(52)44-19-21-53-22-20-44)37(50)41-27(2)38(51)43-46(25-34(40)47)36(49)18-17-35(48)45(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/h3-18,26-27H,19-25H2,1-2H3,(H2,40,47)(H,41,50)(H,42,52)(H,43,51)/t26-,27+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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