BDBM50378274 CHEMBL573437

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

InChI Key: InChIKey=VHCWDLOUNVJIHA-MOPGFXCFSA-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 = 50378274   

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)	BDBM50378274 (CHEMBL573437) Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r,w:6.6| Show InChI InChI=1S/C27H37N7O9/c1-4-42-23(37)11-10-22(36)34(16-21(28)35)31-25(39)19(3)29-24(38)18(2)30-26(40)32-12-14-33(15-13-32)27(41)43-17-20-8-6-5-7-9-20/h5-11,18-19H,4,12-17H2,1-3H3,(H2,28,35)(H,29,38)(H,30,40)(H,31,39)/t18-,19+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	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