BDBM50378259 CHEMBL572824

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12

InChI Key: InChIKey=OQSOMKCPKPRJCN-NSOVKSMOSA-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 = 50378259   

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)	BDBM50378259 (CHEMBL572824) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26| Show InChI InChI=1S/C40H45N7O6/c1-27(43-40(53)45-22-8-3-9-23-45)38(51)42-28(2)39(52)44-47(26-35(41)48)37(50)21-20-36(49)46(24-31-16-10-14-29-12-4-6-18-33(29)31)25-32-17-11-15-30-13-5-7-19-34(30)32/h4-7,10-21,27-28H,3,8-9,22-26H2,1-2H3,(H2,41,48)(H,42,51)(H,43,53)(H,44,52)/t27-,28-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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