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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'joharapurkar' and Initial = 'aa'   
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
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM50178975
PNG
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O
Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24)
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 0.0600n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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 0.370n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))		BDBM18869
PNG
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
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 7.18n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRalpha1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM50401076
PNG
(CHEMBL457748)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r|
Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1
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 600n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRbeta1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
Thyroid hormone receptor alpha


(Homo sapiens (Human))		BDBM50401076
PNG
(CHEMBL457748)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r|
Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1
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 1.25E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRalpha1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 0.200n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD1 (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))		BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 0.200n/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))		BDBM50316499
PNG
(CHEMBL4167582)
Show SMILES OC(=O)CCNC(=O)c1cc(O)c(cn1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21N3O5/c27-19-13-18(23(31)24-12-11-20(28)29)25-14-17(19)22(30)26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,31)(H,25,27)(H,26,30)(H,28,29)
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n/an/a 0.620n/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))		BDBM50316852
PNG
(CHEMBL4171446)
Show SMILES Oc1nc(ncc1NC(=O)Cc1ccc(cc1)-c1ccccc1)-n1cccn1
Show InChI InChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28)
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n/an/a 0.700n/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)
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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)
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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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50317545
PNG
(CHEMBL4173371)
Show SMILES COc1ccc(nc1OC)-n1c(=O)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O5S/c1-30-14-7-8-16(25-19(14)31-2)26-20(28)17-13(24-21(26)29)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)
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n/an/a 1n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50446903
PNG
(CHEMBL3115293)
Show SMILES COc1ccc(nc1OC)-n1c(=S)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O4S2/c1-29-14-7-8-16(25-19(14)30-2)26-20(28)17-13(24-21(26)31)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,31)
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n/an/a 1n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (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))		BDBM50321025
PNG
(CHEMBL4170335)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3NC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)12-3-1-11(2-4-12)15-9-29-18-13(5-10(7-26)6-14(18)28-15)19(32)17(21(29)34)20(33)27-8-16(30)31/h1-6,15,28,32H,8-9H2,(H,27,33)(H,30,31)
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n/an/a 1n/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))		BDBM50316844
PNG
(CHEMBL4162417)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3SC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O5S/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)
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n/an/a 1.5n/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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 1.60n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (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))		BDBM50317465
PNG
(CHEMBL4165865)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OCCn(c23)c1=O)C#N
Show InChI InChI=1S/C15H11N3O6/c16-5-7-3-8-12-9(4-7)24-2-1-18(12)15(23)11(13(8)21)14(22)17-6-10(19)20/h3-4,21H,1-2,6H2,(H,17,22)(H,19,20)
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n/an/a 1.80n/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))		BDBM50318459
PNG
(CHEMBL4159227)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3CC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H16F3N3O5/c24-23(25,26)15-3-1-12(2-4-15)14-7-13-5-11(8-27)6-16-19(13)29(10-14)22(34)18(20(16)32)21(33)28-9-17(30)31/h1-6,14,32H,7,9-10H2,(H,28,33)(H,30,31)
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n/an/a 1.90n/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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD1 (unknown origin)

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))		BDBM350280
PNG
(2-(4-Hydroxy-2-oxo-1-(3'- (trifluoromethoxy)-[1,1'...)
Show SMILES OC(=O)CNC(=O)c1c(O)c2CSCc2n(-c2ccc(cc2)-c2cccc(OC(F)(F)F)c2)c1=O
Show InChI InChI=1S/C23H17F3N2O6S/c24-23(25,26)34-15-3-1-2-13(8-15)12-4-6-14(7-5-12)28-17-11-35-10-16(17)20(31)19(22(28)33)21(32)27-9-18(29)30/h1-8,31H,9-11H2,(H,27,32)(H,29,30)
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n/an/a 4.10n/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))		BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
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n/an/a 5.40n/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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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n/an/a 5.5n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD3 (unknown origin)

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))		BDBM50317468
PNG
(CHEMBL4169558)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(-c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H13F3N2O6/c18-17(19,20)8-1-3-9(4-2-8)22-11-7-28-6-10(11)14(25)13(16(22)27)15(26)21-5-12(23)24/h1-4,25H,5-7H2,(H,21,26)(H,23,24)
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n/an/a 5.80n/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))		BDBM50318913
PNG
(CHEMBL4177137)
Show SMILES CN1Cc2c(CC1=O)c(O)c(C(=O)NCC(O)=O)c(=O)n2Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O6/c1-22-9-13-12(6-14(22)24)17(27)16(18(28)21-7-15(25)26)19(29)23(13)8-10-2-4-11(20)5-3-10/h2-5,27H,6-9H2,1H3,(H,21,28)(H,25,26)
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n/an/a 7.30n/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))		BDBM50321014
PNG
(CHEMBL4163550)
Show SMILES COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(cc1)P(O)=O
Show InChI InChI=1S/C23H20N5O5P/c1-33-16-8-4-14(5-9-16)20(15-6-10-17(11-7-15)34(31)32)26-22(29)18-13-24-21(27-23(18)30)19-3-2-12-25-28-19/h2-13,20,34H,1H3,(H,26,29)(H,31,32)(H,24,27,30)
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n/an/a<10n/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))		BDBM50317078
PNG
(CHEMBL4170656)
Show SMILES CCc1ccc2cc(CCn3ncc4nc(nc(O)c34)-n3cc(cn3)C(O)=O)ccc2c1
Show InChI InChI=1S/C23H20N6O3/c1-2-14-3-5-17-10-15(4-6-16(17)9-14)7-8-28-20-19(12-25-28)26-23(27-21(20)30)29-13-18(11-24-29)22(31)32/h3-6,9-13H,2,7-8H2,1H3,(H,31,32)(H,26,27,30)
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n/an/a 12n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin)

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))		BDBM242568
PNG
(US9422240, 1-378)
Show SMILES CC(C)c1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(O)=O)C3=O)cn2)cc1 |t:17|
Show InChI InChI=1S/C23H25N3O6/c1-14(2)16-4-6-17(7-5-16)32-19-8-3-15(11-24-19)13-26-10-9-18(27)21(23(26)31)22(30)25-12-20(28)29/h3-8,11,14,27H,9-10,12-13H2,1-2H3,(H,25,30)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in 293FT cells using HIF-1 [alpha] as substrate after 20 mins by fluorescence polarization assay

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))		BDBM50316511
PNG
(CHEMBL4161082)
Show SMILES OC(=O)c1cnn(c1)-c1nc(O)c2n(ncc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N6O3/c23-15-5-1-12(2-6-15)18(13-3-7-16(24)8-4-13)30-19-17(10-26-30)27-22(28-20(19)31)29-11-14(9-25-29)21(32)33/h1-11,18H,(H,32,33)(H,27,28,31)
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n/an/a 20n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin)

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))		BDBM50320830
PNG
(CHEMBL4162965)
Show SMILES OC(=O)CCNC(=O)c1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)n1
Show InChI InChI=1S/C22H20N4O5/c27-17(28)11-12-23-22(31)19-24-13-16(21(30)26-19)20(29)25-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,18H,11-12H2,(H,23,31)(H,25,29)(H,27,28)(H,24,26,30)
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n/an/a<20n/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))		BDBM50320749
PNG
(CHEMBL4165493)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cccc3OCCn(c23)c1=O
Show InChI InChI=1S/C14H12N2O6/c17-9(18)6-15-13(20)10-12(19)7-2-1-3-8-11(7)16(14(10)21)4-5-22-8/h1-3,19H,4-6H2,(H,15,20)(H,17,18)
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n/an/a 21n/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))		BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin)

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))		BDBM50320450
PNG
(CHEMBL4169295)
Show SMILES OC(=O)CNC(=O)c1c(O)c2CNCCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C19H18F3N3O5/c20-19(21,22)11-3-1-10(2-4-11)9-25-13-5-6-23-7-12(13)16(28)15(18(25)30)17(29)24-8-14(26)27/h1-4,23,28H,5-9H2,(H,24,29)(H,26,27)
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n/an/a 23n/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))		BDBM50318287
PNG
(CHEMBL4173319)
Show SMILES O=C(NCc1ccc2OCCc2c1)c1ccc(nc1)-c1ncn[nH]1
Show InChI InChI=1S/C17H15N5O2/c23-17(13-2-3-14(18-9-13)16-20-10-21-22-16)19-8-11-1-4-15-12(7-11)5-6-24-15/h1-4,7,9-10H,5-6,8H2,(H,19,23)(H,20,21,22)
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n/an/a 61n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in 293FT cells using HIF-1 [alpha] as substrate after 20 mins by fluorescence polarization assay

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))		BDBM50321026
PNG
(CHEMBL4172984)
Show SMILES OC(=O)CNC(=O)c1c(O)c2CCCCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H19F3N2O5/c21-20(22,23)12-7-5-11(6-8-12)10-25-14-4-2-1-3-13(14)17(28)16(19(25)30)18(29)24-9-15(26)27/h5-8,28H,1-4,9-10H2,(H,24,29)(H,26,27)
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n/an/a 66n/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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50317078
PNG
(CHEMBL4170656)
Show SMILES CCc1ccc2cc(CCn3ncc4nc(nc(O)c34)-n3cc(cn3)C(O)=O)ccc2c1
Show InChI InChI=1S/C23H20N6O3/c1-2-14-3-5-17-10-15(4-6-16(17)9-14)7-8-28-20-19(12-25-28)26-23(27-21(20)30)29-13-18(11-24-29)22(31)32/h3-6,9-13H,2,7-8H2,1H3,(H,31,32)(H,26,27,30)
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n/an/a 180n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD3 (unknown origin)

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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
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n/an/a 240n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD1 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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))		BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 280n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincuba...

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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 450n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 480n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD1 (unknown origin)

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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))		BDBM50316511
PNG
(CHEMBL4161082)
Show SMILES OC(=O)c1cnn(c1)-c1nc(O)c2n(ncc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N6O3/c23-15-5-1-12(2-6-15)18(13-3-7-16(24)8-4-13)30-19-17(10-26-30)27-22(28-20(19)31)29-11-14(9-25-29)21(32)33/h1-11,18H,(H,32,33)(H,27,28,31)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD3 (unknown origin)

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))		BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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))		BDBM50318679
PNG
(CHEMBL4162752 | US10889546, Example 44)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)C#CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C17H13ClN2O5/c18-12-3-5-13(6-4-12)25-7-1-2-11-8-14(21)16(19-9-11)17(24)20-10-15(22)23/h3-6,8-9,21H,7,10H2,(H,20,24)(H,22,23)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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))		BDBM50317247
PNG
(CHEMBL4173461)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(F)c1
Show InChI InChI=1S/C14H11FN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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))		BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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		3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))		BDBM102348
PNG
(US10562854, No. A41 | US8536181, A41 | US9278930, ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1
Show InChI InChI=1S/C22H28ClN3O4/c1-22(2,3)30-21(29)25-12-10-24(11-13-25)15-17-8-9-26(20(28)19(17)27)14-16-4-6-18(23)7-5-16/h4-9,27H,10-15H2,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate

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))		BDBM306798
PNG
(US10149841, Compound 9)
Show SMILES OC(=O)CNC(=O)c1ncc(Oc2cccc(F)c2F)cc1O
Show InChI InChI=1S/C14H10F2N2O5/c15-8-2-1-3-10(12(8)16)23-7-4-9(19)13(17-5-7)14(22)18-6-11(20)21/h1-5,19H,6H2,(H,18,22)(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) by fluorescence polarization assay

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))		BDBM50317546
PNG
(CHEMBL4168832)
Show SMILES OC(=O)CCC(=O)NNC(=O)c1cc2ccccc2cn1
Show InChI InChI=1S/C14H13N3O4/c18-12(5-6-13(19)20)16-17-14(21)11-7-9-3-1-2-4-10(9)8-15-11/h1-4,7-8H,5-6H2,(H,16,18)(H,17,21)(H,19,20)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal truncated PHD2 (unknown origin) using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate by AlphaScreen assay

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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of human ERG

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
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM50115668
PNG
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
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n/an/an/a 0.200n/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human TRbeta1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Thyroid hormone receptor alpha


(Homo sapiens (Human))		BDBM18920
PNG
(2-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)pheny...)
Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,24,25)
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n/an/an/an/a 152n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to TRalpha1

J Med Chem 55: 5649-75 (2012)


Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ
More data for this
Ligand-Target Pair
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