BDBM50378270 CHEMBL573435

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

InChI Key: InChIKey=QJQRKEALZVXGMF-UXHICEINSA-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 = 50378270   

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)	BDBM50378270 (CHEMBL573435) Show SMILES C[C@@H](NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:33.33| Show InChI InChI=1S/C29H41N7O9/c1-19(32-27(42)34-13-15-35(16-14-34)28(43)45-29(3,4)5)25(40)31-20(2)26(41)33-36(17-22(30)37)23(38)11-12-24(39)44-18-21-9-7-6-8-10-21/h6-12,19-20H,13-18H2,1-5H3,(H2,30,37)(H,31,40)(H,32,42)(H,33,41)/t19-,20+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	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