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SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=JCHXIOVKPGVIIT-IXWFTCOSSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137742   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Genome polyprotein


(Human rhinovirus B)
BDBM50137742
PNG
((1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-buty...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H44N4O6/c1-6-11-22(26(36)29(39)31-20-13-8-7-9-14-20)32-27(37)24-21-15-10-12-19(21)16-34(24)30(40)23(17(2)3)33-28(38)25(35)18(4)5/h7-9,13-14,17-19,21-25,35H,6,10-12,15-16H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22?,23-,24-,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 263-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0FX5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137742
PNG
((1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-buty...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H44N4O6/c1-6-11-22(26(36)29(39)31-20-13-8-7-9-14-20)32-27(37)24-21-15-10-12-19(21)16-34(24)30(40)23(17(2)3)33-28(38)25(35)18(4)5/h7-9,13-14,17-19,21-25,35H,6,10-12,15-16H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22?,23-,24-,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Cytotoxic activity in rat liver Huh-7 cells


Bioorg Med Chem Lett 14: 263-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0FX5
More data for this
Ligand-Target Pair