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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50030901   
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))
BDBM50303765
PNG
(2-(3-hydroxy-2-((naphthalen-2-ylsulfonyl)carbonyli...)
Show SMILES OC(=O)Cc1cs\c(=N/C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O
Show InChI InChI=1S/C16H12N2O6S2/c19-14(20)8-12-9-25-15(18(12)22)17-16(21)26(23,24)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,9,22H,8H2,(H,19,20)/b17-15-
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n/an/a 21n/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))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 73n/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
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 1.85E+4n/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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26121
PNG
(Substrate analogue, 11 | Succinate | Succinic acid...)
Show SMILES OC(=O)CCC(O)=O
Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
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PubMed
n/an/a 8.53E+4n/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))
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)


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))
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)


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
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)


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
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-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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303767
PNG
((2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-((S)-2-((S)-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C87H141N19O29/c1-19-43(11)66(82(129)101-60(38-107)80(127)97-54(30-40(5)6)75(122)98-58(36-65(115)116)77(124)100-59(87(134)135)33-51-25-22-21-23-26-51)102-83(130)67(44(12)20-2)103-85(132)69(50(18)109)105-79(126)57(35-64(113)114)94-62(110)37-89-70(117)45(13)90-71(118)46(14)92-81(128)61-27-24-28-106(61)86(133)48(16)93-74(121)53(29-39(3)4)96-76(123)55(31-41(7)8)99-84(131)68(49(17)108)104-78(125)56(32-42(9)10)95-72(119)47(15)91-73(120)52(88)34-63(111)112/h21-23,25-26,39-50,52-61,66-69,107-109H,19-20,24,27-38,88H2,1-18H3,(H,89,117)(H,90,118)(H,91,120)(H,92,128)(H,93,121)(H,94,110)(H,95,119)(H,96,123)(H,97,127)(H,98,122)(H,99,131)(H,100,124)(H,101,129)(H,102,130)(H,103,132)(H,104,125)(H,105,126)(H,111,112)(H,113,114)(H,115,116)(H,134,135)/t43-,44-,45-,46-,47-,48-,49+,50+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-,68-,69-/m0/s1
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n/an/an/a 8.50E+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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303768
PNG
((2S,5S,8S,11S,14S,17S)-17-((S)-2-((S)-1-((2S,3S)-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C101H152N20O34S2/c1-14-53(10)82(100(153)121-35-19-23-74(121)97(150)108-62(33-37-157-13)87(140)113-68(45-78(128)129)94(147)116-71(48-81(134)135)95(148)115-70(47-80(132)133)93(146)112-66(42-55-20-16-15-17-21-55)91(144)105-59(28-30-75(103)123)85(138)118-72(101(154)155)41-52(8)9)119-96(149)67(43-56-24-26-57(122)27-25-56)117-98(151)73-22-18-34-120(73)99(152)54(11)104-88(141)63(38-49(2)3)110-86(139)61(32-36-156-12)107-84(137)60(29-31-76(124)125)106-89(142)65(40-51(6)7)111-92(145)69(46-79(130)131)114-90(143)64(39-50(4)5)109-83(136)58(102)44-77(126)127/h15-17,20-21,24-27,49-54,58-74,82,122H,14,18-19,22-23,28-48,102H2,1-13H3,(H2,103,123)(H,104,141)(H,105,144)(H,106,142)(H,107,137)(H,108,150)(H,109,136)(H,110,139)(H,111,145)(H,112,146)(H,113,140)(H,114,143)(H,115,148)(H,116,147)(H,117,151)(H,118,138)(H,119,149)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,154,155)/t53-,54-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-/m0/s1
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n/an/an/a 1.40E+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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26121
PNG
(Substrate analogue, 11 | Succinate | Succinic acid...)
Show SMILES OC(=O)CCC(O)=O
Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
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n/an/an/a>1.00E+5n/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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303766
PNG
(2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...)
Show SMILES OC(=O)CCC(=O)C(O)=O
Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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n/an/an/a 1.00E+3n/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 in presence of HIF1alpha (55...


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))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/an/a 3.40E+3n/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 313K 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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303766
PNG
(2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...)
Show SMILES OC(=O)CCC(=O)C(O)=O
Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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n/an/an/a 900n/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))
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)


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
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)


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))
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)


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))
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)


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))
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-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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26121
PNG
(Substrate analogue, 11 | Succinate | Succinic acid...)
Show SMILES OC(=O)CCC(O)=O
Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
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n/an/an/a>1.00E+5n/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))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/an/a 3.10E+3n/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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/an/a 2.80E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2-Mn(II) using 100% H2O MQC spectrometer operated at 23 MHz at 313K 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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303766
PNG
(2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...)
Show SMILES OC(=O)CCC(=O)C(O)=O
Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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n/an/an/a 2.20E+3n/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 313K 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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303766
PNG
(2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...)
Show SMILES OC(=O)CCC(=O)C(O)=O
Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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n/an/an/a 1.70E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2-Mn(II) using 100% H2O MQC spectrometer operated at 23 MHz at 313K 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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/an/a 3.10E+3n/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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303766
PNG
(2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...)
Show SMILES OC(=O)CCC(=O)C(O)=O
Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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n/an/an/a 900n/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