BDBM50410369 CHEMBL363650

SMILES: COc1ccc2c(O[C@@H]3C[C@H](C(C3)C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C(=O)CC3(CC3)C(O)=O)ccnc2c1

InChI Key: InChIKey=JKRPJZWXZDYYBT-LMUQBHJXSA-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 = 50410369   

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 (Hepatitis C virus (HCV))	BDBM50410369 (CHEMBL363650) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](C(C3)C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C(=O)CC3(CC3)C(O)=O)ccnc2c1 Show InChI InChI=1S/C36H47N3O8/c1-20(2)31(39-34(43)32(38-21(3)40)22-8-6-5-7-9-22)33(42)27-17-24(16-26(27)29(41)19-36(13-14-36)35(44)45)47-30-12-15-37-28-18-23(46-4)10-11-25(28)30/h10-12,15,18,20,22,24,26-27,31-32H,5-9,13-14,16-17,19H2,1-4H3,(H,38,40)(H,39,43)(H,44,45)/t24-,26-,27?,31+,32+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
IMIM/Universitat Pompeu Fabra Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease (IC50 spans 2.5 log units)				J Med Chem 48: 2687-94 (2005) Article DOI: 10.1021/jm049113+ BindingDB Entry DOI: 10.7270/Q29S1QH4
					More data for this Ligand-Target Pair