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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50137744'   
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)
BDBM50137744
PNG
(CHEMBL328740 | {(S)-1-[(1S,3aR,6aS)-4,4-Difluoro-1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H42F2N4O6/c1-7-11-21(23(37)26(39)33-18-12-9-8-10-13-18)34-25(38)22-19-14-15-30(31,32)20(19)16-36(22)27(40)24(29(4,5)6)35-28(41)42-17(2)3/h8-10,12-13,17,19-22,24H,7,11,14-16H2,1-6H3,(H,33,39)(H,34,38)(H,35,41)/t19-,20-,21?,22-,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
270n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


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)
BDBM50137744
PNG
(CHEMBL328740 | {(S)-1-[(1S,3aR,6aS)-4,4-Difluoro-1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H42F2N4O6/c1-7-11-21(23(37)26(39)33-18-12-9-8-10-13-18)34-25(38)22-19-14-15-30(31,32)20(19)16-36(22)27(40)24(29(4,5)6)35-28(41)42-17(2)3/h8-10,12-13,17,19-22,24H,7,11,14-16H2,1-6H3,(H,33,39)(H,34,38)(H,35,41)/t19-,20-,21?,22-,24+/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
Inhibitory activity of the compound against Protease using replicon assay in rats at 50 microM concentration


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


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