BDBM50158834 CHEMBL411714::Lys-Gly-Ser-Val-Val-Ile-Val-Gly-Arg-Ile-Ile-Leu-Ser-Gly-Arg-Lys

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

InChI Key: InChIKey=UKYKMHCRGDLWRH-IRZAZAFESA-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 = 50158834   

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
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158834 (CHEMBL411714 | Lys-Gly-Ser-Val-Val-Ile-Val-Gly-Arg...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C75H140N24O19/c1-15-42(12)58(70(114)92-49(32-38(4)5)65(109)93-50(36-100)62(106)86-34-52(102)88-46(26-22-30-83-74(79)80)63(107)91-48(73(117)118)25-19-21-29-77)99-72(116)59(43(13)16-2)97-64(108)47(27-23-31-84-75(81)82)89-53(103)35-87-67(111)55(39(6)7)95-71(115)60(44(14)17-3)98-69(113)57(41(10)11)96-68(112)56(40(8)9)94-66(110)51(37-101)90-54(104)33-85-61(105)45(78)24-18-20-28-76/h38-51,55-60,100-101H,15-37,76-78H2,1-14H3,(H,85,105)(H,86,106)(H,87,111)(H,88,102)(H,89,103)(H,90,104)(H,91,107)(H,92,114)(H,93,109)(H,94,110)(H,95,115)(H,96,112)(H,97,108)(H,98,113)(H,99,116)(H,117,118)(H4,79,80,83)(H4,81,82,84)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+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 NS2/3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
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