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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MSRA protein' and Ligand = 'BDBM50195854'   
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
MSRA protein


(Bos taurus)
BDBM50195854
PNG
(CHEMBL220517 | NSC-102359 | cid_3280136)
Show SMILES CCOP(=O)(Nc1ccc-2c(c1)C(=NNC(N)=S)c1ccccc-21)OCC |w:13.14|
Show InChI InChI=1S/C18H21N4O3PS/c1-3-24-26(23,25-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(16(14)11-12)20-21-18(19)27/h5-11H,3-4H2,1-2H3,(H,22,23)(H3,19,21,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair