BDBM50158823 AcAsp-Glu-Cha-Val-Prb-Cys::CHEMBL179963

SMILES: CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CS)C(O)=O)OCc1ccccc1

InChI Key: InChIKey=UINXWQSPCZCPNY-MKVQYLHRSA-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 = 50158823   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50158823 (AcAsp-Glu-Cha-Val-Prb-Cys | CHEMBL179963) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CS)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C40H58N6O13S/c1-22(2)34(39(56)46-19-26(59-20-25-12-8-5-9-13-25)17-31(46)38(55)44-30(21-60)40(57)58)45-37(54)28(16-24-10-6-4-7-11-24)43-35(52)27(14-15-32(48)49)42-36(53)29(18-33(50)51)41-23(3)47/h5,8-9,12-13,22,24,26-31,34,60H,4,6-7,10-11,14-21H2,1-3H3,(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,54)(H,48,49)(H,50,51)(H,57,58)/t26-,27+,28+,29+,30?,31+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair