BDBM50158824 CHEMBL438893::Lys-Gly-Ser-Leu-Val-Ile-Arg-Gly-Val-Ile-Val-Val-Cys-Lys

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

InChI Key: InChIKey=VOLDICALPOCCPU-BOGNAVKCSA-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 = 50158824   

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)	BDBM50158824 (CHEMBL438893 | Lys-Gly-Ser-Leu-Val-Ile-Arg-Gly-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C66H123N19O16S/c1-15-38(13)52(84-62(97)50(36(9)10)81-56(91)43(28-33(3)4)78-57(92)44(31-86)75-46(87)29-73-54(89)40(69)22-17-19-25-67)63(98)76-41(24-21-27-72-66(70)71)55(90)74-30-47(88)80-48(34(5)6)60(95)85-53(39(14)16-2)64(99)83-51(37(11)12)61(96)82-49(35(7)8)59(94)79-45(32-102)58(93)77-42(65(100)101)23-18-20-26-68/h33-45,48-53,86,102H,15-32,67-69H2,1-14H3,(H,73,89)(H,74,90)(H,75,87)(H,76,98)(H,77,93)(H,78,92)(H,79,94)(H,80,88)(H,81,91)(H,82,96)(H,83,99)(H,84,97)(H,85,95)(H,100,101)(H4,70,71,72)/t38-,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG 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 virus NS4A active site				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
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