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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 = 'BDBM47850'   
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)		BDBM47850
PNG
(1-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyan...)
Show SMILES COc1ccc(cc1)N(C(=O)Cn1nnc2ccccc12)C1(CCCCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C27H33N5O3/c1-35-22-15-13-21(14-16-22)32(25(33)19-31-24-12-6-5-11-23(24)29-30-31)27(17-7-2-8-18-27)26(34)28-20-9-3-4-10-20/h5-6,11-16,20H,2-4,7-10,17-19H2,1H3,(H,28,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.89E+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