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Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'matelan' and Initial = 'e'   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119202
PNG
(CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...)
Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1
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 140n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of compound against Beta-2 adrenergic receptor was determined

Bioorg Med Chem Lett 12: 2963-7 (2002)


BindingDB Entry DOI: 10.7270/Q2D21WZQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119195
PNG
(CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1
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 180n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of compound against Beta-2 adrenergic receptor was determined

Bioorg Med Chem Lett 12: 2963-7 (2002)


BindingDB Entry DOI: 10.7270/Q2D21WZQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119195
PNG
(CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1
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 240n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of compound against Beta-1 adrenergic receptor was determined

Bioorg Med Chem Lett 12: 2963-7 (2002)


BindingDB Entry DOI: 10.7270/Q2D21WZQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119202
PNG
(CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...)
Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of compound against Beta-1 adrenergic receptor was determined

Bioorg Med Chem Lett 12: 2963-7 (2002)


BindingDB Entry DOI: 10.7270/Q2D21WZQ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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n/an/a 2n/a 90n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2n/a 90n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50305077
PNG
(3-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8...)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO3S/c1-15-14-28-23-20(10-5-11-21(23)24(25,26)27)22(15)16-6-3-7-17(12-16)31-18-8-4-9-19(13-18)32(2,29)30/h3-14H,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157485
PNG
(4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl...)
Show SMILES CC(C)n1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O/c1-10(2)22-16-13(4-3-5-14(16)17(18,19)20)15(21-22)11-6-8-12(23)9-7-11/h3-10,23H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378587
PNG
(CHEMBL611466)
Show SMILES CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)16-7-4-8-17(13-16)32-18-9-5-10-19(14-18)33(3,30)31/h4-15H,1-3H3
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n/an/a 3.5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50378590
PNG
(CHEMBL611735)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
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n/an/a 5.90n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378588
PNG
(CHEMBL611467)
Show SMILES CC(C)(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O3S/c1-24(2,3)22-21(30-13-7-12-20(23(30)29-22)25(26,27)28)16-8-5-9-17(14-16)33-18-10-6-11-19(15-18)34(4,31)32/h5-15H,1-4H3
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n/an/a 6.5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306028
PNG
(2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4...)
Show SMILES Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378589
PNG
(CHEMBL611734)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N2O3S/c1-36(33,34)22-13-6-12-21(17-22)35-20-11-5-10-19(16-20)25-24(18-8-3-2-4-9-18)31-26-23(27(28,29)30)14-7-15-32(25)26/h2-17H,1H3
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n/an/a 7.20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306020
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES CNS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(Cl)cccn23)C(C)C)c1
Show InChI InChI=1S/C23H22ClN3O3S/c1-15(2)21-22(27-12-6-11-20(24)23(27)26-21)16-7-4-8-17(13-16)30-18-9-5-10-19(14-18)31(28,29)25-3/h4-15,25H,1-3H3
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n/an/a 7.5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM20001
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H25F3N2O2/c33-32(34,35)28-11-5-10-27-30(25(20-37-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)36-19-23-14-12-22(13-15-23)17-29(38)39/h1-15,18,20,36H,16-17,19H2,(H,38,39)
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n/an/a 8n/a 160n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 9n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50378593
PNG
(CHEMBL612007)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCSC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N3O3S2/c1-36(32,33)20-8-3-7-19(14-20)34-18-6-2-5-17(13-18)23-22(15-30-11-12-35-16-30)29-24-21(25(26,27)28)9-4-10-31(23)24/h2-10,13-14H,11-12,15-16H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 9n/a 170n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26065
PNG
(2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-...)
Show SMILES Cc1ccc(Cn2nc3c(cccc3c2-c2ccc(F)cc2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H18F4N2/c1-14-6-7-17(15(2)12-14)13-29-22(16-8-10-18(24)11-9-16)19-4-3-5-20(21(19)28-29)23(25,26)27/h3-12H,13H2,1-2H3
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n/an/a 10n/a 990n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306041
PNG
(8-chloro-2-isopropyl-3-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)21-22(26-12-6-11-20(24)23(26)25-21)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 10n/a 240n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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n/an/a 12n/a 310n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 13n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 13n/a 140n/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378586
PNG
(CHEMBL611465)
Show SMILES CCc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-20-21(28-12-6-11-19(22(28)27-20)23(24,25)26)15-7-4-8-16(13-15)31-17-9-5-10-18(14-17)32(2,29)30/h4-14H,3H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157496
PNG
(4-[1-(2,5-dichlorophenyl)-6-hydroxy-1H-indazol-3-y...)
Show SMILES Oc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C19H12Cl2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157488
PNG
(4-(7-chloro-1-cyclopentyl-1H-indazol-3-yl)phenol |...)
Show SMILES Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C18H17ClN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157483
PNG
(4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenol |...)
Show SMILES Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(F)cccc12
Show InChI InChI=1S/C18H17FN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157501
PNG
(4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl...)
Show SMILES CC(C)n1nc(-c2ccc(O)cc2C)c2cccc(c12)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O/c1-10(2)23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)9-11(13)3/h4-10,24H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26066
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
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n/an/a 24n/a 3.67E+3n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306046
PNG
(3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-...)
Show SMILES COc1ccc(CN(C)S(=O)(=O)c2cccc(Oc3cccc(c3)-c3c(nc4c(Cl)cccn34)C(C)C)c2)cc1
Show InChI InChI=1S/C31H30ClN3O4S/c1-21(2)29-30(35-17-7-12-28(32)31(35)33-29)23-8-5-9-25(18-23)39-26-10-6-11-27(19-26)40(36,37)34(3)20-22-13-15-24(38-4)16-14-22/h5-19,21H,20H2,1-4H3
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157498
PNG
(4-(1-butyl-7-chloro-1H-indazol-3-yl)phenol | CHEMB...)
Show SMILES CCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12
Show InChI InChI=1S/C17H17ClN2O/c1-2-3-11-20-17-14(5-4-6-15(17)18)16(19-20)12-7-9-13(21)10-8-12/h4-10,21H,2-3,11H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26072
PNG
(2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-chlorophe...)
Show SMILES Fc1ccc(Cn2nc3c(cccc3c2-c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2F4N2/c22-14-7-4-12(5-8-14)20-16-2-1-3-17(21(25,26)27)19(16)28-29(20)11-13-6-9-15(24)10-18(13)23/h1-10H,11H2
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n/an/a 30n/a 1.12E+4n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306030
PNG
(3-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-8-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3S/c1-3-32(29,30)19-10-5-9-18(14-19)31-17-8-4-7-16(13-17)21-15(2)27-22-20(23(24,25)26)11-6-12-28(21)22/h4-14H,3H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50378594
PNG
(CHEMBL608531)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1
Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3
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n/an/a 30n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157491
PNG
(4-[1-(2,5-difluorophenyl)-6-hydroxy-1H-indazol-3-y...)
Show SMILES Oc1ccc(-c2nn(-c3cc(F)ccc3F)c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C19H12F2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H
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n/an/a 31n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26068
PNG
(2-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(t...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccccc2Cl)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H13ClF4N2/c22-18-7-2-1-4-14(18)12-28-20(13-8-10-15(23)11-9-13)16-5-3-6-17(19(16)27-28)21(24,25)26/h1-11H,12H2
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n/an/a 32n/a 2.89E+3n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50306031
PNG
(3-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)22-16(3)28-23-21(24(25,26)27)11-6-12-29(22)23/h4-15H,1-3H3
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n/an/a 33n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD

Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26067
PNG
(3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(t...)
Show SMILES Fc1ccc(cc1)-c1n(Cc2ccccc2F)nc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C21H13F5N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
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n/an/a 33n/a 4.15E+3n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157504
PNG
(4-(7-chloro-1-cyclohexyl-1H-indazol-3-yl)phenol | ...)
Show SMILES Oc1ccc(cc1)-c1nn(C2CCCCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C19H19ClN2O/c20-17-8-4-7-16-18(13-9-11-15(23)12-10-13)21-22(19(16)17)14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2
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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26071
PNG
(2-[(4-chloro-2-fluorophenyl)methyl]-3-(4-chlorophe...)
Show SMILES Fc1cc(Cl)ccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H12Cl2F4N2/c22-14-7-4-12(5-8-14)20-16-2-1-3-17(21(25,26)27)19(16)28-29(20)11-13-6-9-15(23)10-18(13)24/h1-10H,11H2
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n/an/a 38n/a 9.80E+3n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26074
PNG
(2-benzyl-3-aryl-7-trifluoromethylindazole, 20 | 3-...)
Show SMILES Fc1ccccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H13ClF4N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
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n/an/a 38n/a 7.44E+3n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157489
PNG
(4-[1-(3-fluorophenyl)-6-hydroxy-1H-indazol-3-yl]be...)
Show SMILES Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H
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n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50157503
PNG
(4-(7-methyl-1-propyl-1H-indazol-3-yl)phenol | CHEM...)
Show SMILES CCCn1nc(-c2ccc(O)cc2)c2cccc(C)c12
Show InChI InChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription

J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta [154-461]


(Homo sapiens (Human))		BDBM26073
PNG
(2-benzyl-3-aryl-7-trifluoromethylindazole, 19 | 3-...)
Show SMILES FC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12
Show InChI InChI=1S/C21H13Cl2F3N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
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n/an/a 40n/a 1.02E+4n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...

J Med Chem 51: 7161-8 (2008)


Article DOI: 10.1021/jm800799q
BindingDB Entry DOI: 10.7270/Q2XW4H4G
More data for this
Ligand-Target Pair
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