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Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'guo' and Initial = 'tb'   
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))
BDBM50385850
PNG
(CHEMBL2042853)
Show SMILES Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccccc21)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H29N3O/c1-23-8-7-19-32-28(23)22-33-20-17-31(18-21-33)27-11-5-6-12-29(27)34(30(31)35)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-16,19H,17-18,20-22H2,1H3
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442444
PNG
(CHEMBL2443222)
Show SMILES Cc1cc(CCC(O)=O)cnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C30H33N3O3/c1-22-19-23(7-12-28(34)35)20-31-27(22)21-32-16-13-30(14-17-32)15-18-33(29(30)36)26-10-8-25(9-11-26)24-5-3-2-4-6-24/h2-6,8-11,19-20H,7,12-18,21H2,1H3,(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442445
PNG
(CHEMBL2443221)
Show SMILES Cc1cc(CC(O)=O)cnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H31N3O3/c1-21-17-22(18-27(33)34)19-30-26(21)20-31-14-11-29(12-15-31)13-16-32(28(29)35)25-9-7-24(8-10-25)23-5-3-2-4-6-23/h2-10,17,19H,11-16,18,20H2,1H3,(H,33,34)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442461
PNG
(CHEMBL2443211)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2C)-c2ccccc2)CC1
Show InChI InChI=1S/C28H31N3O/c1-21-7-6-15-29-25(21)20-30-16-12-28(13-17-30)14-18-31(27(28)32)26-11-10-24(19-22(26)2)23-8-4-3-5-9-23/h3-11,15,19H,12-14,16-18,20H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442458
PNG
(CHEMBL2443114)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccc(cc2)C(O)=O)CC1
Show InChI InChI=1S/C28H29N3O3/c1-20-3-2-15-29-25(20)19-30-16-12-28(13-17-30)14-18-31(27(28)34)24-10-8-22(9-11-24)21-4-6-23(7-5-21)26(32)33/h2-11,15H,12-14,16-19H2,1H3,(H,32,33)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442463
PNG
(CHEMBL2443129)
Show SMILES COc1cc(ccc1N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O)-c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-21-7-6-15-29-24(21)20-30-16-12-28(13-17-30)14-18-31(27(28)32)25-11-10-23(19-26(25)33-2)22-8-4-3-5-9-22/h3-11,15,19H,12-14,16-18,20H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442453
PNG
(CHEMBL2443213)
Show SMILES Cn1ccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H28N4O/c1-27-18-14-26-23(27)19-28-15-11-25(12-16-28)13-17-29(24(25)30)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,14,18H,11-13,15-17,19H2,1H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442457
PNG
(CHEMBL2443115)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccc(CC(O)=O)cc2)CC1
Show InChI InChI=1S/C29H31N3O3/c1-21-3-2-15-30-26(21)20-31-16-12-29(13-17-31)14-18-32(28(29)35)25-10-8-24(9-11-25)23-6-4-22(5-7-23)19-27(33)34/h2-11,15H,12-14,16-20H2,1H3,(H,33,34)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442460
PNG
(CHEMBL2443112)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2F)-c2ccccc2)CC1
Show InChI InChI=1S/C27H28FN3O/c1-20-6-5-14-29-24(20)19-30-15-11-27(12-16-30)13-17-31(26(27)32)25-10-9-22(18-23(25)28)21-7-3-2-4-8-21/h2-10,14,18H,11-13,15-17,19H2,1H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385858
PNG
(CHEMBL2042997)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O/c1-21-6-5-16-28-25(21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,16H,13-15,17-20H2,1H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442462
PNG
(CHEMBL2443130)
Show SMILES COc1cc(ccc1-c1ccccc1)N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C28H31N3O2/c1-21-7-6-15-29-25(21)20-30-16-12-28(13-17-30)14-18-31(27(28)32)23-10-11-24(26(19-23)33-2)22-8-4-3-5-9-22/h3-11,15,19H,12-14,16-18,20H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442459
PNG
(CHEMBL2443113)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2C#N)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O/c1-21-6-5-14-30-25(21)20-31-15-11-28(12-16-31)13-17-32(27(28)33)26-10-9-23(18-24(26)19-29)22-7-3-2-4-8-22/h2-10,14,18H,11-13,15-17,20H2,1H3
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442456
PNG
(CHEMBL2443116)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2cccc(c2)C(O)=O)CC1
Show InChI InChI=1S/C28H29N3O3/c1-20-4-3-14-29-25(20)19-30-15-11-28(12-16-30)13-17-31(27(28)34)24-9-7-21(8-10-24)22-5-2-6-23(18-22)26(32)33/h2-10,14,18H,11-13,15-17,19H2,1H3,(H,32,33)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442443
PNG
(CHEMBL2443118)
Show SMILES Cc1cc(CCCC(O)=O)cnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N3O3/c1-23-20-24(6-5-9-29(35)36)21-32-28(23)22-33-17-14-31(15-18-33)16-19-34(30(31)37)27-12-10-26(11-13-27)25-7-3-2-4-8-25/h2-4,7-8,10-13,20-21H,5-6,9,14-19,22H2,1H3,(H,35,36)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442449
PNG
(CHEMBL2443217)
Show SMILES O=C1N(CCC11CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-26(13-17-28(18-14-26)20-23-8-4-5-16-27-23)15-19-29(25)24-11-9-22(10-12-24)21-6-2-1-3-7-21/h1-12,16H,13-15,17-20H2
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442448
PNG
(CHEMBL2443218)
Show SMILES Clc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H26ClN3O/c27-23-7-4-15-28-24(23)19-29-16-12-26(13-17-29)14-18-30(25(26)31)22-10-8-21(9-11-22)20-5-2-1-3-6-20/h1-11,15H,12-14,16-19H2
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442437
PNG
(CHEMBL2443124)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C26H28N4O/c1-20-3-2-13-28-24(20)19-29-16-10-26(11-17-29)12-18-30(25(26)31)23-6-4-21(5-7-23)22-8-14-27-15-9-22/h2-9,13-15H,10-12,16-19H2,1H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442466
PNG
(CHEMBL2443126)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C25H29N5O/c1-19-4-3-12-26-23(19)18-29-13-9-25(10-14-29)11-15-30(24(25)31)22-7-5-20(6-8-22)21-16-27-28(2)17-21/h3-8,12,16-17H,9-11,13-15,18H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442464
PNG
(CHEMBL2443128)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(nc2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H28N4O/c1-20-6-5-14-27-24(20)19-29-15-11-26(12-16-29)13-17-30(25(26)31)22-9-10-23(28-18-22)21-7-3-2-4-8-21/h2-10,14,18H,11-13,15-17,19H2,1H3
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PubMed
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442446
PNG
(CHEMBL2443220)
Show SMILES COc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O2/c1-32-25-8-5-16-28-24(25)20-29-17-13-27(14-18-29)15-19-30(26(27)31)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-12,16H,13-15,17-20H2,1H3
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442447
PNG
(CHEMBL2443219)
Show SMILES FC(F)(F)c1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H26F3N3O/c28-27(29,30)23-7-4-15-31-24(23)19-32-16-12-26(13-17-32)14-18-33(25(26)34)22-10-8-21(9-11-22)20-5-2-1-3-6-20/h1-11,15H,12-14,16-19H2
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442439
PNG
(CHEMBL2443122)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)C2CCCCC2)CC1
Show InChI InChI=1S/C27H35N3O/c1-21-6-5-16-28-25(21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h5-6,9-12,16,22H,2-4,7-8,13-15,17-20H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385866
PNG
(CHEMBL2042128)
Show SMILES Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccsc1)c1ccccc21
Show InChI InChI=1S/C21H22N4OS/c1-23-12-9-22-19(23)14-24-10-7-21(8-11-24)17-4-2-3-5-18(17)25(20(21)26)16-6-13-27-15-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442441
PNG
(CHEMBL2443120)
Show SMILES CC(C)Oc1ccc(cc1)N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C24H31N3O2/c1-18(2)29-21-8-6-20(7-9-21)27-16-12-24(23(27)28)10-14-26(15-11-24)17-22-19(3)5-4-13-25-22/h4-9,13,18H,10-12,14-17H2,1-3H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388467
PNG
(CHEMBL2059521)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(s1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C26H27NO3S/c1-4-21-18(8-6-10-26(28)29)7-5-9-22(21)25-14-13-24(31-25)19-11-12-23(30-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,28,29)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442442
PNG
(CHEMBL2443119)
Show SMILES CCOc1ccc(cc1)N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C23H29N3O2/c1-3-28-20-8-6-19(7-9-20)26-16-12-23(22(26)27)10-14-25(15-11-23)17-21-18(2)5-4-13-24-21/h4-9,13H,3,10-12,14-17H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442465
PNG
(CHEMBL2443127)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cn2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H28N4O/c1-20-6-5-14-27-23(20)19-29-15-11-26(12-16-29)13-17-30(25(26)31)24-10-9-22(18-28-24)21-7-3-2-4-8-21/h2-10,14,18H,11-13,15-17,19H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442467
PNG
(CHEMBL2443125)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2cncnc2)CC1
Show InChI InChI=1S/C25H27N5O/c1-19-3-2-11-28-23(19)17-29-12-8-25(9-13-29)10-14-30(24(25)31)22-6-4-20(5-7-22)21-15-26-18-27-16-21/h2-7,11,15-16,18H,8-10,12-14,17H2,1H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442438
PNG
(CHEMBL2443123)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C25H32N4O2/c1-20-3-2-11-26-23(20)19-27-12-8-25(9-13-27)10-14-29(24(25)30)22-6-4-21(5-7-22)28-15-17-31-18-16-28/h2-7,11H,8-10,12-19H2,1H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442440
PNG
(CHEMBL2443121)
Show SMILES CCc1ccc(cc1)N1CCC2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C23H29N3O/c1-3-19-6-8-20(9-7-19)26-16-12-23(22(26)27)10-14-25(15-11-23)17-21-18(2)5-4-13-24-21/h4-9,13H,3,10-12,14-17H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388466
PNG
(CHEMBL2059520)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(s1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C25H26N2O3S/c1-4-20-17(8-6-10-24(28)29)7-5-9-21(20)23-15-27-25(31-23)18-11-12-22(30-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,28,29)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388468
PNG
(CHEMBL2059527)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388465
PNG
(CHEMBL2059517)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50388470
PNG
(CHEMBL2057232)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388473
PNG
(CHEMBL2059519)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(o1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50388464
PNG
(CHEMBL2057285)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N
Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50388464
PNG
(CHEMBL2057285)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N
Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50388469
PNG
(CHEMBL2059516)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50388471
PNG
(CHEMBL2057282)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442455
PNG
(CHEMBL2443117)
Show SMILES Cc1cccnc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2C(O)=O)CC1
Show InChI InChI=1S/C28H29N3O3/c1-20-5-4-15-29-25(20)19-30-16-12-28(13-17-30)14-18-31(27(28)34)22-10-8-21(9-11-22)23-6-2-3-7-24(23)26(32)33/h2-11,15H,12-14,16-19H2,1H3,(H,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50388471
PNG
(CHEMBL2057282)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50388471
PNG
(CHEMBL2057282)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50388471
PNG
(CHEMBL2057282)
Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50388469
PNG
(CHEMBL2059516)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50388469
PNG
(CHEMBL2059516)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442452
PNG
(CHEMBL2443214)
Show SMILES O=C1N(CCC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H28N2O/c30-26-27(15-18-28(19-16-27)21-22-7-3-1-4-8-22)17-20-29(26)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14H,15-21H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442451
PNG
(CHEMBL2443215)
Show SMILES Cc1ccncc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O/c1-21-11-15-28-19-24(21)20-29-16-12-27(13-17-29)14-18-30(26(27)31)25-9-7-23(8-10-25)22-5-3-2-4-6-22/h2-11,15,19H,12-14,16-18,20H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50442450
PNG
(CHEMBL2443216)
Show SMILES Cc1ncccc1CN1CCC2(CCN(C2=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O/c1-21-24(8-5-16-28-21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)25-11-9-23(10-12-25)22-6-3-2-4-7-22/h2-12,16H,13-15,17-20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by HTRF assay


Bioorg Med Chem 21: 6349-58 (2013)


Article DOI: 10.1016/j.bmc.2013.08.046
BindingDB Entry DOI: 10.7270/Q2K075Q1
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50388472
PNG
(CHEMBL2059515)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50388472
PNG
(CHEMBL2059515)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
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