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Compile Data Set for Download or QSAR

Found 247 hits Enz. Inhib. hit(s) with all data for entry = 6202   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49303
PNG
(2-[(5-chloranylthiophen-2-yl)carbonylamino]-4,5-di...)
Show SMILES Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C
Show InChI InChI=1S/C12H11ClN2O2S2/c1-5-6(2)18-12(9(5)10(14)16)15-11(17)7-3-4-8(13)19-7/h3-4H,1-2H3,(H2,14,16)(H,15,17)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50293103
PNG
(5-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(n1)-c1ccccc1F
Show InChI InChI=1S/C15H11FN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48172
PNG
(2-(3-methoxyphenyl)-5-methyl-1,3-benzoxazole | MLS...)
Show SMILES COc1cccc(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C15H13NO2/c1-10-6-7-14-13(8-10)16-15(18-14)11-4-3-5-12(9-11)17-2/h3-9H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114720
PNG
(2-[(2-furanylmethylamino)methylidene]indene-1,3-di...)
Show SMILES O=[#6]-1\[#6](=[#6]\[#7]-[#6]-c2ccco2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,16H,8H2
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48186
PNG
(5-methyl-2-(4-methylphenyl)-1,3-benzoxazole | 5-me...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48192
PNG
(3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N4OS2/c1-6-5-7(2)16-12-8(6)9(14)10(20-12)11(18)17-13-15-3-4-19-13/h3-5H,14H2,1-2H3,(H,15,17,18)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49344
PNG
(2-(2-chloranylphenoxy)-N-(5-chloranylpyridin-2-yl)...)
Show SMILES Clc1ccc(NC(=O)COc2ccccc2Cl)nc1
Show InChI InChI=1S/C13H10Cl2N2O2/c14-9-5-6-12(16-7-9)17-13(18)8-19-11-4-2-1-3-10(11)15/h1-7H,8H2,(H,16,17,18)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM40934
PNG
((2-methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C14H12N2OS2/c1-17-12-6-3-2-5-10(12)15-14-16-11(9-19-14)13-7-4-8-18-13/h2-9H,1H3,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49346
PNG
(5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiaz...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1ccccc1Br
Show InChI InChI=1S/C15H11BrN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49357
PNG
(2-(4-Methoxy-phenyl)-imidazo[2,1-a]isoquinoline | ...)
Show SMILES COc1ccc(cc1)-c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C18H14N2O/c1-21-15-8-6-14(7-9-15)17-12-20-11-10-13-4-2-3-5-16(13)18(20)19-17/h2-12H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM40551
PNG
(2-(1H-quinolin-4-ylidene)indane-1,3-quinone | 2-(1...)
Show SMILES O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,16H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM51686
PNG
(1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol | 1-[...)
Show SMILES Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20-10-9-14-5-1-3-7-17(14)18(20)13-21-16-11-15-6-2-4-8-19(15)22-12-16/h1-12,21,23H,13H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM40552
PNG
(2-(7-Methyl-quinolin-2-yl)-indan-1,3-dione | 2-(7-...)
Show SMILES Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H13NO2/c1-11-6-7-12-8-9-15(20-16(12)10-11)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM34668
PNG
(6-Methyl-2-p-tolyl-2H-benzotriazol-5-ylamine | 6-m...)
Show SMILES Cc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
Show InChI InChI=1S/C14H14N4/c1-9-3-5-11(6-4-9)18-16-13-7-10(2)12(15)8-14(13)17-18/h3-8H,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49376
PNG
((6-Methyl-pyridin-2-yl)-(4-thiophen-2-yl-thiazol-2...)
Show SMILES Cc1cccc(Nc2nc(cs2)-c2cccs2)n1
Show InChI InChI=1S/C13H11N3S2/c1-9-4-2-6-12(14-9)16-13-15-10(8-18-13)11-5-3-7-17-11/h2-8H,1H3,(H,14,15,16)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49392
PNG
(6-methyl-2-(5-methyl-1H-benzimidazol-2-yl)thieno[2...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)ccc2c1N
Show InChI InChI=1S/C16H14N4S/c1-8-3-6-11-12(7-8)20-15(19-11)14-13(17)10-5-4-9(2)18-16(10)21-14/h3-7H,17H2,1-2H3,(H,19,20)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48230
PNG
(2-(4-methylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoind...)
Show SMILES Cc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Show InChI InChI=1S/C16H13N3/c1-11-6-8-12(9-7-11)15-17-16-14-5-3-2-4-13(14)10-19(16)18-15/h2-9H,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49393
PNG
(2-(4-chlorophenyl)-5H-[1,2,4]triazol[5,1-a]isoindo...)
Show SMILES Clc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Show InChI InChI=1S/C15H10ClN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49399
PNG
(3-(5-bromanylfuran-2-yl)-5-(2-methoxyphenyl)-1,2,4...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Show InChI InChI=1S/C13H9BrN2O3/c1-17-9-5-3-2-4-8(9)13-15-12(16-19-13)10-6-7-11(14)18-10/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49407
PNG
(2-(4-bromophenyl)-1(2H)-phthalazinone | 2-(4-bromo...)
Show SMILES Brc1ccc(cc1)-n1ncc2ccccc2c1=O
Show InChI InChI=1S/C14H9BrN2O/c15-11-5-7-12(8-6-11)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114722
PNG
(2-[(4-methylbenzyl)thio]-3H-imidazo[4,5-c]pyridine...)
Show SMILES Cc1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C14H13N3S/c1-10-2-4-11(5-3-10)9-18-14-16-12-6-7-15-8-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48245
PNG
((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Show SMILES COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
Show InChI InChI=1S/C14H12N2O4S/c1-20-13-9-10(16(18)19)4-5-11(13)15-7-6-12(17)14-3-2-8-21-14/h2-5,7-9H,6H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114723
PNG
(2-(anilinomethylene)-1H-indene-1,3(2H)-dione | 2-(...)
Show SMILES O=[#6]-1\[#6](=[#6]\[#7]-c2ccccc2)-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,17H
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48254
PNG
(2-(4-methylphenyl)-N-(pyridin-4-ylmethylideneamino...)
Show SMILES Cc1ccc(cc1)-c1nc(N=NCc2ccncc2)c2ccccc2n1 |w:10.10|
Show InChI InChI=1S/C21H17N5/c1-15-6-8-17(9-7-15)20-24-19-5-3-2-4-18(19)21(25-20)26-23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114725
PNG
(1H-indene-1,2,3-trione 2-[(2-chlorophenyl)hydrazon...)
Show SMILES Clc1ccccc1NN=c1c(=O)c2ccccc2c1=O |(11.95,-3.35,;12.72,-2.02,;14.26,-2.02,;15.03,-.68,;14.26,.65,;12.72,.65,;11.95,-.68,;10.41,-.68,;9.64,.65,;8.1,.65,;7.2,1.89,;7.68,3.35,;5.75,1.42,;4.41,2.19,;3.08,1.42,;3.08,-.12,;4.41,-.89,;5.75,-.12,;7.2,-.59,;7.68,-2.05,)|
Show InChI InChI=1S/C15H9ClN2O2/c16-11-7-3-4-8-12(11)17-18-13-14(19)9-5-1-2-6-10(9)15(13)20/h1-8,17H
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114726
PNG
((E)-3-(3-nitroanilino)-1-(2-thienyl)prop-2-en-1-on...)
Show SMILES [O-][N+](=O)c1cccc(c1)N=CCC(=O)c1cccs1 |w:9.9|
Show InChI InChI=1S/C13H10N2O3S/c16-12(13-5-2-8-19-13)6-7-14-10-3-1-4-11(9-10)15(17)18/h1-5,7-9H,6H2
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114727
PNG
(1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylide...)
Show SMILES NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
Show InChI InChI=1S/C12H9Cl2N3OS/c13-9-3-1-7(5-10(9)14)11-4-2-8(18-11)6-16-17-12(15)19/h1-6H,(H3,15,17,19)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49453
PNG
((2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-...)
Show SMILES CN1\C(Sc2ccccc12)=C\C(=O)c1cccs1
Show InChI InChI=1S/C14H11NOS2/c1-15-10-5-2-3-6-12(10)18-14(15)9-11(16)13-7-4-8-17-13/h2-9H,1H3/b14-9-
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114728
PNG
((2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothio...)
Show SMILES CC(=Nc1ccc(C)cc1)c1sc2ccccc2c1O |w:2.2|
Show InChI InChI=1S/C17H15NOS/c1-11-7-9-13(10-8-11)18-12(2)17-16(19)14-5-3-4-6-15(14)20-17/h3-10,19H,1-2H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48274
PNG
(4-(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)...)
Show SMILES Cc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C17H18N4O/c1-13-11-16(20-7-9-22-10-8-20)21-17(19-13)15(12-18-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49458
PNG
((6E)-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-y...)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O
Show InChI InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-10,19H,1H3,(H,17,18)
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48278
PNG
(3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-met...)
Show SMILES Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C19H19ClN6/c1-14-11-18(22-7-2-9-25-10-8-21-13-25)26-19(24-14)17(12-23-26)15-3-5-16(20)6-4-15/h3-6,8,10-13,22H,2,7,9H2,1H3
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49465
PNG
(MLS000568162 | N-(2,5-dimethylphenyl)-2-quinolinec...)
Show SMILES Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C18H16N2O/c1-12-7-8-13(2)17(11-12)20-18(21)16-10-9-14-5-3-4-6-15(14)19-16/h3-11H,1-2H3,(H,20,21)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114729
PNG
(2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenylthiazol-...)
Show SMILES C1COc2cc(Nc3nc(cs3)-c3ccccc3)ccc2O1
Show InChI InChI=1S/C17H14N2O2S/c1-2-4-12(5-3-1)14-11-22-17(19-14)18-13-6-7-15-16(10-13)21-9-8-20-15/h1-7,10-11H,8-9H2,(H,18,19)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114730
PNG
(4-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-y...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49484
PNG
((4-methoxyphenyl)-(4-phenylthiazol-2-yl)amine | ML...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H14N2OS/c1-19-14-9-7-13(8-10-14)17-16-18-15(11-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114731
PNG
(6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyls...)
Show SMILES Cc1ccc2nc(CSc3nc(C)ccc3C#N)[nH]c2c1
Show InChI InChI=1S/C16H14N4S/c1-10-3-6-13-14(7-10)20-15(19-13)9-21-16-12(8-17)5-4-11(2)18-16/h3-7H,9H2,1-2H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114732
PNG
(4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one (1-p...)
Show SMILES CC(N=Nc1nc2CCCCc2s1)c1ccccc1 |w:3.3|
Show InChI InChI=1S/C15H17N3S/c1-11(12-7-3-2-4-8-12)17-18-15-16-13-9-5-6-10-14(13)19-15/h2-4,7-8,11H,5-6,9-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114733
PNG
(4-(2,4-Dimethyl-phenylazo)-3-methyl-5-oxo-4,5-dihy...)
Show SMILES Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C |w:10.10|
Show InChI InChI=1S/C13H15N5OS/c1-7-4-5-10(8(2)6-7)15-16-11-9(3)17-18(12(11)19)13(14)20/h4-6,17H,1-3H3,(H2,14,20)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49507
PNG
(4H-3,1-benzothiazin-2-yl-(4-methylbenzyl)amine | M...)
Show SMILES Cc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:6.5|
Show InChI InChI=1S/C16H16N2S/c1-12-6-8-13(9-7-12)10-17-16-18-15-5-3-2-4-14(15)11-19-16/h2-9H,10-11H2,1H3,(H,17,18)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114734
PNG
(4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid be...)
Show SMILES Cn1cc(Cl)c(n1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C12H9ClN4OS/c1-17-6-7(13)10(16-17)11(18)15-12-14-8-4-2-3-5-9(8)19-12/h2-6H,1H3,(H,14,15,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM87901
PNG
(2,4-dimethoxybenzenecarbothioamide | 2,4-dimethoxy...)
Show SMILES COc1ccc(C(N)=S)c(OC)c1
Show InChI InChI=1S/C9H11NO2S/c1-11-6-3-4-7(9(10)13)8(5-6)12-2/h3-5H,1-2H3,(H2,10,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114735
PNG
(4,6-dimethyl-2-[(6-methyl-1H-benzimidazol-2-yl)met...)
Show SMILES Cc1ccc2nc(CSc3nc(C)cc(C)c3C#N)[nH]c2c1
Show InChI InChI=1S/C17H16N4S/c1-10-4-5-14-15(6-10)21-16(20-14)9-22-17-13(8-18)11(2)7-12(3)19-17/h4-7H,9H2,1-3H3,(H,20,21)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49517
PNG
(8-chloranyl-2-(4-fluorophenyl)-6-(trifluoromethyl)...)
Show SMILES Fc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
Show InChI InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM76438
PNG
(2-(5-bromanylthiophen-2-yl)-6-chloranyl-imidazo[1,...)
Show SMILES Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
Show InChI InChI=1S/C11H6BrClN2S/c12-10-3-2-9(16-10)8-6-15-5-7(13)1-4-11(15)14-8/h1-6H
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM77687
PNG
(7-Methoxy-5-(4-methoxy-phenyl)-2-thiophen-2-yl-3H-...)
Show SMILES COc1ccc(cc1)C1=c2cc(OC)ccc2=NC(=NN1)c1cccs1 |c:9,18,20|
Show InChI InChI=1S/C20H17N3O2S/c1-24-14-7-5-13(6-8-14)19-16-12-15(25-2)9-10-17(16)21-20(23-22-19)18-4-3-11-26-18/h3-12,22H,1-2H3
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49519
PNG
(2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazo...)
Show SMILES CSc1ccccc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c1-19-13-10-6-5-9-12(13)15-17-16-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
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