BDBM50378286 CHEMBL573670

SMILES: C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12

InChI Key: InChIKey=BREUDMFOUWGEQO-MBPAZGTNSA-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 = 50378286   

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)	BDBM50378286 (CHEMBL573670) Show SMILES C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12 |r| Show InChI InChI=1S/C29H37N7O7/c1-17(33-29(42)35-13-6-3-7-14-35)25(38)32-18(2)26(39)34-36(16-22(30)37)28(41)24-23(43-24)27(40)31-15-20-11-8-10-19-9-4-5-12-21(19)20/h4-5,8-12,17-18,23-24H,3,6-7,13-16H2,1-2H3,(H2,30,37)(H,31,40)(H,32,38)(H,33,42)(H,34,39)/t17-,18+,23+,24+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	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