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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thrombopoietin receptor' and Ligand = 'BDBM50219622'   
Target
(Institution)
LigandTarget
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
Thrombopoietin receptor


(Homo sapiens)
BDBM50219622
PNG
(CHEMBL429295 | N-(4-(2-fluoro-3-(trifluoromethoxy)...)
Show SMILES OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(OC(F)(F)F)c2F)ncn1
Show InChI InChI=1S/C24H18F4N6O3S/c25-21-16(2-1-3-18(21)37-24(26,27)28)17-11-38-23(32-17)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
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PC sid
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Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219622
PNG
(CHEMBL429295 | N-(4-(2-fluoro-3-(trifluoromethoxy)...)
Show SMILES OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(OC(F)(F)F)c2F)ncn1
Show InChI InChI=1S/C24H18F4N6O3S/c25-21-16(2-1-3-18(21)37-24(26,27)28)17-11-38-23(32-17)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair