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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM50303764'   
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))
BDBM50303764
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r|
Show InChI InChI=1S/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/m0/s1
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Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303764
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r|
Show InChI InChI=1S/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/m0/s1
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Article
PubMed
n/an/an/a 3.50E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2 by nondenaturing ESI-MS


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303764
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r|
Show InChI InChI=1S/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.50E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair