BDBM50158808 CHEMBL408166::Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-Lys

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=VYJNKXXRIBVNPD-FZIOBWNGSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158808   

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)	BDBM50158808 (CHEMBL408166 | Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C60H111N17O15S/c1-15-34(13)47(57(89)75-44(31(7)8)54(86)70-39(24-29(3)4)52(84)71-40(27-78)50(82)66-25-42(80)69-38(59(91)92)20-17-18-22-61)76-51(83)37(21-19-23-65-60(63)64)68-41(79)26-67-53(85)43(30(5)6)73-58(90)48(35(14)16-2)77-56(88)46(33(11)12)74-55(87)45(32(9)10)72-49(81)36(62)28-93/h29-40,43-48,78,93H,15-28,61-62H2,1-14H3,(H,66,82)(H,67,85)(H,68,79)(H,69,80)(H,70,86)(H,71,84)(H,72,81)(H,73,90)(H,74,87)(H,75,89)(H,76,83)(H,77,88)(H,91,92)(H4,63,64,65)/t34-,35-,36-,37-,38-,39-,40-,43-,44-,45-,46-,47-,48-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 NS4A protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
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