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Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'bury' and Initial = 'ps'   
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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218372
PNG
(CHEMBL80124)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218382
PNG
(CHEMBL76909)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218560
PNG
(CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218560
PNG
(CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219402
PNG
(CHEMBL299942)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H31NO3/c30-23-11-14-25-27(19-23)32-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218327
PNG
(CHEMBL312193)
Show SMILES CCCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219400
PNG
(CHEMBL554789)
Show SMILES Cl.Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C27H29NO2S.ClH/c29-22-10-13-24-26(18-22)30-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)31-17-16-28-14-4-5-15-28;/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2;1H/t25-,27-;/m1./s1
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n/an/a 6.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219403
PNG
(CB-7432 | Idoxifene | SB-223030)
Show SMILES CC\C(=C(/c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
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n/an/a 7.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 7.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218330
PNG
(CHEMBL312655)
Show SMILES CC(C)c1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue

Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219399
PNG
(CHEMBL52598)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H31NO2S/c30-23-11-14-25-27(19-23)31-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218384
PNG
(CHEMBL407164)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3ccc(CO)c1n23
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219401
PNG
(CHEMBL417596)
Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H29NO3/c29-22-10-13-24-26(18-22)31-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2/t25-,27-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218328
PNG
(CHEMBL80976)
Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCCC1C4n23 |c:8,t:12,14|
Show InChI InChI=1S/C20H19NO/c22-16-10-6-13(7-11-16)19-17-4-2-1-3-14-5-8-15-9-12-18(19)21(15)20(14)17/h5-12,17,20,22H,1-4H2
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n/an/a 25n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218325
PNG
(CHEMBL308872)
Show SMILES Cc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 28n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218326
PNG
(CHEMBL80560)
Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCC1C4n23 |c:8,t:12,14|
Show InChI InChI=1S/C19H17NO/c21-15-9-5-12(6-10-15)18-16-3-1-2-13-4-7-14-8-11-17(18)20(14)19(13)16/h4-11,16,19,21H,1-3H2
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n/an/a 30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50219398
PNG
(Levormeloxifene)
Show SMILES COc1ccc2[C@H]([C@H](c3ccccc3)C(C)(C)Oc2c1)c1ccc(OCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue

Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218383
PNG
(CHEMBL309677)
Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=CC(C1CCc1ccccc1)n23 |c:8,14,t:12|
Show InChI InChI=1S/C24H21NO/c26-20-13-10-18(11-14-20)24-21(15-9-17-5-2-1-3-6-17)22-8-4-7-19-12-16-23(24)25(19)22/h1-8,10-14,16,21-22,26H,9,15H2
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n/an/a 180n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218331
PNG
(CHEMBL308754)
Show SMILES CCc1c(-c2ccccc2)c2ccc3c(O)ccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-13-14-10-11-17(20)15-8-9-16(19(14)15)18(13)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218329
PNG
(CHEMBL78526)
Show SMILES CCCCC1C2C=CC=c3ccc(=C1c1ccc(O)cc1)n23 |c:6,t:8,12|
Show InChI InChI=1S/C20H21NO/c1-2-3-6-17-18-7-4-5-15-10-13-19(21(15)18)20(17)14-8-11-16(22)12-9-14/h4-5,7-13,17-18,22H,2-3,6H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218381
PNG
(CHEMBL80470)
Show SMILES CCc1c(-c2cccc(O)c2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218332
PNG
(CHEMBL80983)
Show SMILES Oc1ccc(cc1)-c1cc2cccc3ccc1n23
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218349
PNG
(CHEMBL77680)
Show SMILES CCCC(C)C1C2C=CC=c3ccc(=C1c1ccc(O)cc1)n23 |c:7,t:9,13|
Show InChI InChI=1S/C21H23NO/c1-3-5-14(2)20-18-7-4-6-16-10-13-19(22(16)18)21(20)15-8-11-17(23)12-9-15/h4,6-14,18,20,23H,3,5H2,1-2H3
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n/an/a 950n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50218385
PNG
(CHEMBL309916)
Show SMILES CCc1c(-c2ccccc2)c2ccc3cc(O)cc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue

Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109540
PNG
(3-{4-[3-(5,7-Dioxa-12-aza-dibenzo[a,d]cycloocten-1...)
Show SMILES CCOC(Cc1ccc(OCCCN2c3ccccc3OCOc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO6/c1-2-31-26(27(29)30)18-20-12-14-21(15-13-20)32-17-7-16-28-22-8-3-5-10-24(22)33-19-34-25-11-6-4-9-23(25)28/h3-6,8-15,26H,2,7,16-19H2,1H3,(H,29,30)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109541
PNG
(2-Ethoxy-3-{4-[2-(11H-5-oxa-10-thia-dibenzo[a,d]cy...)
Show SMILES CCOC(Cc1ccc(OCCC2Sc3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C26H26O5S/c1-2-29-23(26(27)28)17-18-11-13-19(14-12-18)30-16-15-24-20-7-3-4-8-21(20)31-22-9-5-6-10-25(22)32-24/h3-14,23-24H,2,15-17H2,1H3,(H,27,28)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109542
PNG
(2-Ethoxy-3-{4-[2-(9H-fluoren-9-yl)-ethoxy]-phenyl}...)
Show SMILES CCOC(Cc1ccc(OCCC2c3ccccc3-c3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C26H26O4/c1-2-29-25(26(27)28)17-18-11-13-19(14-12-18)30-16-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,24-25H,2,15-17H2,1H3,(H,27,28)
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n/an/an/an/a 1.17E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109544
PNG
(3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109543
PNG
(3-{4-[2-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-et...)
Show SMILES CCOC(Cc1ccc(OCCN2c3ccccc3CCc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO4/c1-2-31-26(27(29)30)19-20-11-15-23(16-12-20)32-18-17-28-24-9-5-3-7-21(24)13-14-22-8-4-6-10-25(22)28/h3-12,15-16,26H,2,13-14,17-19H2,1H3,(H,29,30)
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n/an/an/an/a 750n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109545
PNG
(3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...)
Show SMILES CCOC(Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)
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n/an/an/an/a 670n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50109546
PNG
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
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n/an/an/an/a 2.41E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of hPPAR delta

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109547
PNG
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109548
PNG
(3-{4-[2-(3-Bromo-carbazol-9-yl)-ethoxy]-phenyl}-2-...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H24BrNO4/c1-2-30-24(25(28)29)15-17-7-10-19(11-8-17)31-14-13-27-22-6-4-3-5-20(22)21-16-18(26)9-12-23(21)27/h3-12,16,24H,2,13-15H2,1H3,(H,28,29)/t24-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109549
PNG
(2-Ethoxy-3-{4-[2-(9H-xanthen-9-yl)-ethoxy]-phenyl}...)
Show SMILES CCOC(Cc1ccc(OCCC2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C26H26O5/c1-2-29-25(26(27)28)17-18-11-13-19(14-12-18)30-16-15-20-21-7-3-5-9-23(21)31-24-10-6-4-8-22(20)24/h3-14,20,25H,2,15-17H2,1H3,(H,27,28)
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n/an/an/an/a 460n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109550
PNG
(3-[4-(2-Dibenzo[b,f]azepin-5-yl-ethoxy)-phenyl]-2-...)
Show SMILES CCOC(Cc1ccc(OCCN2c3ccccc3C=Cc3ccccc23)cc1)C(O)=O |c:20|
Show InChI InChI=1S/C27H27NO4/c1-2-31-26(27(29)30)19-20-11-15-23(16-12-20)32-18-17-28-24-9-5-3-7-21(24)13-14-22-8-4-6-10-25(22)28/h3-16,26H,2,17-19H2,1H3,(H,29,30)
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n/an/an/an/a 760n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109552
PNG
(2-Ethoxy-3-[4-(2-fluoren-9-ylidene-ethoxy)-phenyl]...)
Show SMILES [#6]-[#6]-[#8]-[#6](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6]-2/c3ccccc3-c3ccccc-23)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H24O4/c1-2-29-25(26(27)28)17-18-11-13-19(14-12-18)30-16-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-15,25H,2,16-17H2,1H3,(H,27,28)
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n/an/an/an/a 1.21E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.21E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109553
PNG
(3-{4-[2-(5,7-Dioxa-dibenzo[a,d]cycloocten-12-ylide...)
Show SMILES [#6]-[#6]-[#8]-[#6](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6]-2\c3ccccc3-[#8]-[#6]-[#8]-c3ccccc-23)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C27H26O6/c1-2-30-26(27(28)29)17-19-11-13-20(14-12-19)31-16-15-21-22-7-3-5-9-24(22)32-18-33-25-10-6-4-8-23(21)25/h3-15,26H,2,16-18H2,1H3,(H,28,29)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109547
PNG
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109554
PNG
(3-{4-[2-(3,6-Dibromo-carbazol-9-yl)-ethoxy]-phenyl...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccc(Br)cc3c3cc(Br)ccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H23Br2NO4/c1-2-31-24(25(29)30)13-16-3-7-19(8-4-16)32-12-11-28-22-9-5-17(26)14-20(22)21-15-18(27)6-10-23(21)28/h3-10,14-15,24H,2,11-13H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28701
PNG
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)
Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 1.02E+5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of hPPAR delta

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109544
PNG
(3-[4-(2-beta-Carbolin-9-yl-ethoxy)-phenyl]-2-ethox...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc23)cc1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-2-29-23(24(27)28)15-17-7-9-18(10-8-17)30-14-13-26-21-6-4-3-5-19(21)20-11-12-25-16-22(20)26/h3-12,16,23H,2,13-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28701
PNG
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)
Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 7.35E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 160n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109556
PNG
(3-{4-[3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-pr...)
Show SMILES CCOC(Cc1ccc(OCCCN2c3ccccc3CCc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4/c1-2-32-27(28(30)31)20-21-12-16-24(17-13-21)33-19-7-18-29-25-10-5-3-8-22(25)14-15-23-9-4-6-11-26(23)29/h3-6,8-13,16-17,27H,2,7,14-15,18-20H2,1H3,(H,30,31)
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n/an/an/an/a 760n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR gamma

J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
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