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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Photosystem II protein D1' and Ligand = 'BDBM50486992'   
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
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486992
PNG
(CHEMBL2252578)
Show SMILES Cc1c(C(O)=O)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C(=O)NC1CC1 |(49.47,-18.92,;47.99,-18.48,;47.48,-17.02,;48.26,-15.68,;49.8,-15.68,;47.49,-14.35,;45.94,-17.05,;45.49,-18.53,;46.76,-19.42,;46.8,-20.95,;45.48,-21.75,;44.13,-21.01,;45.51,-23.29,;46.86,-24.03,;48.18,-23.23,;48.14,-21.69,;49.46,-20.89,;46.89,-25.57,;45.58,-26.37,;48.25,-26.31,;46.88,-27.1,;45.19,-15.71,;45.99,-14.39,;43.65,-15.68,;42.91,-14.33,;42.93,-12.79,;41.58,-13.53,)|
Show InChI InChI=1S/C16H12Cl2F3N3O3/c1-6-11(15(26)27)12(14(25)22-8-2-3-8)23-24(6)13-9(17)4-7(5-10(13)18)16(19,20)21/h4-5,8H,2-3H2,1H3,(H,22,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+7n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486992
PNG
(CHEMBL2252578)
Show SMILES Cc1c(C(O)=O)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C(=O)NC1CC1 |(49.47,-18.92,;47.99,-18.48,;47.48,-17.02,;48.26,-15.68,;49.8,-15.68,;47.49,-14.35,;45.94,-17.05,;45.49,-18.53,;46.76,-19.42,;46.8,-20.95,;45.48,-21.75,;44.13,-21.01,;45.51,-23.29,;46.86,-24.03,;48.18,-23.23,;48.14,-21.69,;49.46,-20.89,;46.89,-25.57,;45.58,-26.37,;48.25,-26.31,;46.88,-27.1,;45.19,-15.71,;45.99,-14.39,;43.65,-15.68,;42.91,-14.33,;42.93,-12.79,;41.58,-13.53,)|
Show InChI InChI=1S/C16H12Cl2F3N3O3/c1-6-11(15(26)27)12(14(25)22-8-2-3-8)23-24(6)13-9(17)4-7(5-10(13)18)16(19,20)21/h4-5,8H,2-3H2,1H3,(H,22,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+7n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair