BDBM50158814 CHEMBL414722::Glu-Asp-Val-Val-Cys-Cys-L2-Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-Lys-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](CS)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)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)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=KIXWBFHZLFKOSG-GVUBVZJUSA-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 = 50158814   

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)	BDBM50158814 (CHEMBL414722 | Glu-Asp-Val-Val-Cys-Cys-L2-Cys-Val-...) 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](CS)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)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)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C97H174N26O27S3/c1-19-54(17)77(94(147)121-72(49(7)8)89(142)112-60(39-47(3)4)84(137)113-62(43-124)80(133)105-41-67(126)107-57(29-23-25-35-98)82(135)110-59(96(149)150)30-24-26-36-99)122-83(136)58(31-28-38-104-97(101)102)108-68(127)42-106-88(141)71(48(5)6)118-95(148)78(55(18)20-2)123-93(146)76(53(15)16)120-92(145)75(52(13)14)117-87(140)64(45-152)109-66(125)32-22-21-27-37-103-81(134)63(44-151)114-86(139)65(46-153)115-90(143)73(50(9)10)119-91(144)74(51(11)12)116-85(138)61(40-70(130)131)111-79(132)56(100)33-34-69(128)129/h47-65,71-78,124,151-153H,19-46,98-100H2,1-18H3,(H,103,134)(H,105,133)(H,106,141)(H,107,126)(H,108,127)(H,109,125)(H,110,135)(H,111,132)(H,112,142)(H,113,137)(H,114,139)(H,115,143)(H,116,138)(H,117,140)(H,118,148)(H,119,144)(H,120,145)(H,121,147)(H,122,136)(H,123,146)(H,128,129)(H,130,131)(H,149,150)(H4,101,102,104)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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 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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