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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50137737'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Human rhinovirus B)
BDBM50137737
PNG
((1S,5S,6R)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-[...)
Show SMILES CCC(C)NC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C33H49F2N7O6/c1-8-18(4)38-31(47)26(43)21(14-23(34)35)39-30(46)25-20-11-9-10-19(20)16-42(25)32(48)27(33(5,6)7)41-29(45)24(17(2)3)40-28(44)22-15-36-12-13-37-22/h12-13,15,17-21,23-25,27H,8-11,14,16H2,1-7H3,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t18?,19-,20-,21-,24-,25-,27+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
480n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HCV protease using replicon assay in rats


Bioorg Med Chem Lett 14: 257-61 (2003)


BindingDB Entry DOI: 10.7270/Q20P0ZDG
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137737
PNG
((1S,5S,6R)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-[...)
Show SMILES CCC(C)NC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C33H49F2N7O6/c1-8-18(4)38-31(47)26(43)21(14-23(34)35)39-30(46)25-20-11-9-10-19(20)16-42(25)32(48)27(33(5,6)7)41-29(45)24(17(2)3)40-28(44)22-15-36-12-13-37-22/h12-13,15,17-21,23-25,27H,8-11,14,16H2,1-7H3,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t18?,19-,20-,21-,24-,25-,27+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.61E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HCV protease using replicon assay in rats


Bioorg Med Chem Lett 14: 257-61 (2003)


BindingDB Entry DOI: 10.7270/Q20P0ZDG
More data for this
Ligand-Target Pair