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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM50316816'   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50316816
PNG
(CHEMBL4161223)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50316816
PNG
(CHEMBL4161223)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7
More data for this
Ligand-Target Pair