BDBM50158802 Asp-Glu-Val-Val-Cys-Cys-L2-Lys-Gly-Ser-Leu-Val-Ile-Arg-Gly-Ile-Val-Val-Cys-Lys::CHEMBL413195

SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(C)C)[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=OUFHRVZXWFQTGO-QZGNNNTPSA-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 = 50158802   

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)	BDBM50158802 (Asp-Glu-Val-Val-Cys-Cys-L2-Lys-Gly-Ser-Leu-Val-Ile...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(C)C)[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/C92H165N25O26S3/c1-17-51(15)73(90(141)116-72(50(13)14)87(138)115-69(47(7)8)84(135)109-61(43-145)82(133)106-57(91(142)143)28-22-24-34-94)111-65(121)40-101-77(128)55(29-26-36-99-92(96)97)105-89(140)74(52(16)18-2)117-88(139)71(49(11)12)113-80(131)58(37-45(3)4)107-81(132)59(41-118)103-64(120)39-100-76(127)54(27-21-23-33-93)102-63(119)30-20-19-25-35-98-78(129)60(42-144)108-83(134)62(44-146)110-85(136)68(46(5)6)114-86(137)70(48(9)10)112-79(130)56(31-32-66(122)123)104-75(126)53(95)38-67(124)125/h45-62,68-74,118,144-146H,17-44,93-95H2,1-16H3,(H,98,129)(H,100,127)(H,101,128)(H,102,119)(H,103,120)(H,104,126)(H,105,140)(H,106,133)(H,107,132)(H,108,134)(H,109,135)(H,110,136)(H,111,121)(H,112,130)(H,113,131)(H,114,137)(H,115,138)(H,116,141)(H,117,139)(H,122,123)(H,124,125)(H,142,143)(H4,96,97,99)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-,72-,73-,74-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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 binding region of NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
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