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4 similar compounds to monomer 50193145

Wt: 294.6
BDBM50277935
Wt: 294.6
BDBM50277936
Wt: 322.7
BDBM50303763
Wt: 322.7
BDBM50303764

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50277935,50277936,50303763,50303764   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
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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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)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50277936
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1
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n/an/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
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-/m1/s1
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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)

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
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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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)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50277936
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1
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n/an/a 2.30E+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)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50277935
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m0/s1
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n/an/a 512n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50277936
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
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-/m1/s1
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n/an/an/a 3.30E+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)

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
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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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)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
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-/m1/s1
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n/an/an/a 3.30E+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)

More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50303764
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
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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PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)

More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50277935
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)

More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
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-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50277936
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1
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PubMed
n/an/an/a 2.20E+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)

More data for this
Ligand-Target Pair