BDBM50109048 CHEMBL3601347

SMILES: NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(C3CCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1

InChI Key: InChIKey=HSIKTISYKRBLGW-LTYLLROCSA-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 = 50109048   

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
Genome polyprotein (West Nile virus)	BDBM50109048 (CHEMBL3601347) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(\C=C2/SC(=O)N(C3CCC3)C2=O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H45N9O6S/c36-18-5-4-12-25(32(48)43-28(29(37)45)22-8-2-1-3-9-22)42-31(47)26(13-7-19-40-34(38)39)41-30(46)23-16-14-21(15-17-23)20-27-33(49)44(35(50)51-27)24-10-6-11-24/h1-3,8-9,14-17,20,24-26,28H,4-7,10-13,18-19,36H2,(H2,37,45)(H,41,46)(H,42,47)(H,43,48)(H4,38,39,40)/b27-20-/t25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate p...				Bioorg Med Chem 23: 5748-55 (2015) BindingDB Entry DOI: 10.7270/Q25B048V
					More data for this Ligand-Target Pair