BDBM50378267 CHEMBL573161

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

InChI Key: InChIKey=JZQHCFAXFYJHKZ-UXHICEINSA-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 = 50378267   

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)	BDBM50378267 (CHEMBL573161) Show SMILES C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:26.26| Show InChI InChI=1S/C29H38N8O6/c1-19(33-29(43)36-15-13-31-14-16-36)27(41)32-20(2)28(42)34-37(18-24(30)38)26(40)12-11-25(39)35(3)17-22-9-6-8-21-7-4-5-10-23(21)22/h4-12,19-20,31H,13-18H2,1-3H3,(H2,30,38)(H,32,41)(H,33,43)(H,34,42)/t19-,20+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	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