BDBM50158813 AcAsp-Glu-Cha-Val-Prb-Cpg::CHEMBL360983

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)NC1(CC1)C(O)=O)OCc1ccccc1

InChI Key: InChIKey=DDYNDQYNGBVAAZ-HWKKFYSMSA-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 = 50158813   

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)	BDBM50158813 (AcAsp-Glu-Cha-Val-Prb-Cpg | CHEMBL360983) 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)NC1(CC1)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C41H58N6O13/c1-23(2)34(39(57)47-21-27(60-22-26-12-8-5-9-13-26)19-31(47)38(56)46-41(16-17-41)40(58)59)45-37(55)29(18-25-10-6-4-7-11-25)44-35(53)28(14-15-32(49)50)43-36(54)30(20-33(51)52)42-24(3)48/h5,8-9,12-13,23,25,27-31,34H,4,6-7,10-11,14-22H2,1-3H3,(H,42,48)(H,43,54)(H,44,53)(H,45,55)(H,46,56)(H,49,50)(H,51,52)(H,58,59)/t27-,28-,29-,30-,31-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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
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