BDBM50158809 AcGlu-Asp-Val-Val-Leu-Cys-Iqc-Nle-Thr-TyrNH2::CHEMBL386885

SMILES: CCCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=HGLKSJLIZCXTFK-SEAKOTFTSA-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 = 50158809   

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)	BDBM50158809 (AcGlu-Asp-Val-Val-Leu-Cys-Iqc-Nle-Thr-TyrNH2 | CHE...) Show SMILES CCCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C59H87N11O17S/c1-9-10-15-38(51(79)66-43(28-71)55(83)64-41(50(60)78)25-34-16-18-37(73)19-17-34)63-56(84)45-26-35-13-11-12-14-36(35)27-70(45)59(87)44(29-88)67-54(82)42(24-30(2)3)65-57(85)48(31(4)5)69-58(86)49(32(6)7)68-53(81)40(21-23-47(76)77)62-52(80)39(61-33(8)72)20-22-46(74)75/h11-14,16-19,30-32,38-45,48-49,71,73,88H,9-10,15,20-29H2,1-8H3,(H2,60,78)(H,61,72)(H,62,80)(H,63,84)(H,64,83)(H,65,85)(H,66,79)(H,67,82)(H,68,81)(H,69,86)(H,74,75)(H,76,77)/t38-,39-,40-,41-,42-,43-,44-,45+,48-,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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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