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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 = 'BDBM47919'   
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)		BDBM47919
PNG
(Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...)
Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 2.23E+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