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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 = 'BDBM47921'   
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)		BDBM47921
PNG
(Furan-2-carboxylic acid (cyclopentylcarbamoyl-pyri...)
Show SMILES CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C26H29N3O3/c1-18(2)19-11-13-22(14-12-19)29(26(31)23-10-6-16-32-23)24(20-7-5-15-27-17-20)25(30)28-21-8-3-4-9-21/h5-7,10-18,21,24H,3-4,8-9H2,1-2H3,(H,28,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.93E+3n/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