BDBM50158820 CHEMBL414693::Glu-Asp-Val-Val-Cys-Cys-L1-Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-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)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)=O

InChI Key: InChIKey=VBNKTBYUKJAMRW-QAULDMTGSA-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 = 50158820   

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)	BDBM50158820 (CHEMBL414693 | Glu-Asp-Val-Val-Cys-Cys-L1-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)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)=O Show InChI InChI=1S/C97H173N25O27S3/c1-19-55(17)78(94(146)120-73(50(7)8)89(141)111-60(40-48(3)4)84(136)112-62(44-123)81(133)105-42-69(127)108-59(96(148)149)30-25-26-36-98)121-83(135)58(31-29-39-104-97(100)101)107-68(126)43-106-88(140)72(49(5)6)117-95(147)79(56(18)20-2)122-93(145)77(54(15)16)119-92(144)76(53(13)14)116-87(139)64(46-151)109-67(125)33-24-22-27-37-102-66(124)32-23-21-28-38-103-82(134)63(45-150)113-86(138)65(47-152)114-90(142)74(51(9)10)118-91(143)75(52(11)12)115-85(137)61(41-71(130)131)110-80(132)57(99)34-35-70(128)129/h48-65,72-79,123,150-152H,19-47,98-99H2,1-18H3,(H,102,124)(H,103,134)(H,105,133)(H,106,140)(H,107,126)(H,108,127)(H,109,125)(H,110,132)(H,111,141)(H,112,136)(H,113,138)(H,114,142)(H,115,137)(H,116,139)(H,117,147)(H,118,143)(H,119,144)(H,120,146)(H,121,135)(H,122,145)(H,128,129)(H,130,131)(H,148,149)(H4,100,101,104)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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
					More data for this Ligand-Target Pair