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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3C-like protease' and Ligand = 'BDBM47875'   
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
3C-like protease


(Avian infectious bronchitis virus)
BDBM47875
PNG
(1,5-Diisopropyl-3,7-bis-(2-nitro-benzoyl)-3,7-diaz...)
Show SMILES CC(C)C12CN(CC(CN(C1)C(=O)c1ccccc1[N+]([O-])=O)(C(C)C)C2=O)C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O7/c1-17(2)26-13-28(23(32)19-9-5-7-11-21(19)30(35)36)15-27(18(3)4,25(26)34)16-29(14-26)24(33)20-10-6-8-12-22(20)31(37)38/h5-12,17-18H,13-16H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair