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Compile Data Set for Download or QSAR

Found 237 hits Enz. Inhib. hit(s) with all data for entry = 6203   
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))
BDBM39520
PNG
(2-(2-Fluoro-benzylsulfanyl)-3-methyl-3H-imidazo[4,...)
Show SMILES Cn1c(SCc2ccccc2F)nc2cccnc12
Show InChI InChI=1S/C14H12FN3S/c1-18-13-12(7-4-8-16-13)17-14(18)19-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM95939
PNG
(4-[4-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pheny...)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C16H15N3O2S/c1-2-14(22-11-1)16-18-17-15(21-16)12-3-5-13(6-4-12)19-7-9-20-10-8-19/h1-6,11H,7-10H2
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114963
PNG
((1H-Indol-3-ylmethyl)-(1-methyl-1H-benzoimidazol-2...)
Show SMILES Cn1c(NCc2c[nH]c3ccccc23)nc2ccccc12
Show InChI InChI=1S/C17H16N4/c1-21-16-9-5-4-8-15(16)20-17(21)19-11-12-10-18-14-7-3-2-6-13(12)14/h2-10,18H,11H2,1H3,(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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM39435
PNG
(2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetic...)
Show SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-21-15-12(9-16)3-4-13(18-15)11-5-7-17-8-6-11/h3-8H,2,10H2,1H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114964
PNG
(2-[(E)-(4-methyl-1-piperazinyl)methylideneamino]-5...)
Show SMILES CN1CCN(CC1)\C=N\c1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C16H22N4S/c1-19-7-9-20(10-8-19)12-18-16-14(11-17)13-5-3-2-4-6-15(13)21-16/h12H,2-10H2,1H3/b18-12+
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM37328
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)...)
Show SMILES Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49227
PNG
((6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-d...)
Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H14N2O3/c20-15-4-2-1-3-12(15)14-10-13(18-19-14)11-5-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49229
PNG
(MLS000087245 | N-(3-imidazol-1-ylpropyl)-5-(2-thie...)
Show SMILES O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114966
PNG
(5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic ...)
Show SMILES CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc21
Show InChI InChI=1S/C16H14O4/c1-3-19-16(18)14-9(2)20-15-11-7-5-4-6-10(11)13(17)8-12(14)15/h4-8,17H,3H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50264070
PNG
(CHEMBL492010 | N-(4-(pyridin-3-yl)thiazol-2-yl)pyr...)
Show SMILES N(c1nc(cs1)-c1cccnc1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-2-7-15-12(5-1)17-13-16-11(9-18-13)10-4-3-6-14-8-10/h1-9H,(H,15,16,17)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114967
PNG
(5-(2-furanyl)-N-(2-phenylethyl)-3-isoxazolecarboxa...)
Show SMILES O=C(NCCc1ccccc1)c1cc(on1)-c1ccco1
Show InChI InChI=1S/C16H14N2O3/c19-16(17-9-8-12-5-2-1-3-6-12)13-11-15(21-18-13)14-7-4-10-20-14/h1-7,10-11H,8-9H2,(H,17,19)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49248
PNG
(4-amino-2-(benzylthio)pyrimidine-5-carboxylic acid...)
Show SMILES CCOC(=O)c1cnc(SCc2ccccc2)nc1N
Show InChI InChI=1S/C14H15N3O2S/c1-2-19-13(18)11-8-16-14(17-12(11)15)20-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,15,16,17)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114968
PNG
(5-(2-furanyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole...)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccco1
Show InChI InChI=1S/C13H10N2O3/c1-16-10-6-3-2-5-9(10)12-14-13(18-15-12)11-7-4-8-17-11/h2-8H,1H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49288
PNG
((5-chloro-2-pyridyl)-[4-(2-thienyl)thiazol-2-yl]am...)
Show SMILES Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1
Show InChI InChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49299
PNG
(MLS000061332 | N-(5-chloranylpyridin-2-yl)-1-benzo...)
Show SMILES Clc1ccc(NC(=O)c2cc3ccccc3o2)nc1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-5-6-13(16-8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114969
PNG
(5-methyl-N-(2-thiazolin-2-yl)thiophene-3-carboxami...)
Show SMILES Cc1cc(cs1)C(=O)NC1=NCCS1 |t:10|
Show InChI InChI=1S/C9H10N2OS2/c1-6-4-7(5-14-6)8(12)11-9-10-2-3-13-9/h4-5H,2-3H2,1H3,(H,10,11,12)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM44702
PNG
(2-O-cyclohexyl 5-O-methyl 3,6-dimethyl-4-oxo-1,5,6...)
Show SMILES COC(=O)C1C(C)Cc2[nH]c(C(=O)OC3CCCCC3)c(C)c2C1=O
Show InChI InChI=1S/C19H25NO5/c1-10-9-13-15(17(21)14(10)18(22)24-3)11(2)16(20-13)19(23)25-12-7-5-4-6-8-12/h10,12,14,20H,4-9H2,1-3H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM44706
PNG
((4-methylcyclohexyl) 3-methyl-4-oxidanylidene-1,5,...)
Show SMILES CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|
Show InChI InChI=1S/C17H23NO3/c1-10-6-8-12(9-7-10)21-17(20)16-11(2)15-13(18-16)4-3-5-14(15)19/h10,12,18H,3-9H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114970
PNG
(4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)piperid...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1cc2ccccn2n1
Show InChI InChI=1S/C16H20N4O3/c1-2-23-16(22)19-9-6-12(7-10-19)17-15(21)14-11-13-5-3-4-8-20(13)18-14/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,17,21)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM37183
PNG
(3-(4-hydroxyphenyl)-5-oxidanyl-7-propan-2-yloxy-ch...)
Show SMILES CC(C)Oc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C18H16O5/c1-10(2)23-13-7-15(20)17-16(8-13)22-9-14(18(17)21)11-3-5-12(19)6-4-11/h3-10,19-20H,1-2H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM37478
PNG
(1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)ur...)
Show SMILES CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-2-19-9-5-6-10-11(8-9)21-14(15-10)17-13(18)16-12-4-3-7-20-12/h3-8H,2H2,1H3,(H2,15,16,17,18)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114971
PNG
(MLS000103591 | N-(1,3-dimethyl-2,6-dioxo-4-pyrimid...)
Show SMILES Cn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C15H17N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114972
PNG
(MLS000102794 | N-(2-methyl-5-thiazolo[5,4-b]pyridi...)
Show SMILES CCS(=O)(=O)Nc1cc(ccc1C)-c1nc2cccnc2s1
Show InChI InChI=1S/C15H15N3O2S2/c1-3-22(19,20)18-13-9-11(7-6-10(13)2)14-17-12-5-4-8-16-15(12)21-14/h4-9,18H,3H2,1-2H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114973
PNG
(3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidin...)
Show SMILES Cn1c(NC(=O)CCC2CCCCC2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C15H23N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,19)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM33061
PNG
(4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2...)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H16N4S/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12/h3-11H,1-2H3,(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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48184
PNG
(2-(3-chlorophenyl)-5-phenyl-1,3,4-oxadiazole | 2-p...)
Show SMILES Clc1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM42978
PNG
((Z)-2-cyano-4-(1-prop-2-enyl-4-pyridinylidene)-2-b...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
Show InChI InChI=1S/C15H16N2O2/c1-3-9-17-10-7-13(8-11-17)5-6-14(12-16)15(18)19-4-2/h3,5-8,10-11H,1,4,9H2,2H3/b14-6-
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114975
PNG
(6-bromanyl-7-methyl-2-phenyl-[1,3,4]thiadiazolo[3,...)
Show SMILES Cc1nc2sc(nn2c(=O)c1Br)-c1ccccc1
Show InChI InChI=1S/C12H8BrN3OS/c1-7-9(13)11(17)16-12(14-7)18-10(15-16)8-5-3-2-4-6-8/h2-6H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM48214
PNG
(3-(5-Ethyl-benzooxazol-2-yl)-phenylamine | 3-(5-et...)
Show SMILES CCc1ccc2oc(nc2c1)-c1cccc(N)c1
Show InChI InChI=1S/C15H14N2O/c1-2-10-6-7-14-13(8-10)17-15(18-14)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114976
PNG
(4-Amino-2-phenethylsulfanyl-pyrimidine-5-carboxyli...)
Show SMILES CCOC(=O)c1cnc(SCCc2ccccc2)nc1N
Show InChI InChI=1S/C15H17N3O2S/c1-2-20-14(19)12-10-17-15(18-13(12)16)21-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,17,18)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114978
PNG
(2-furancarboxylic acid [(Z)-[amino-(3-methylphenyl...)
Show SMILES Cc1cccc(c1)C(N)=NOC(=O)c1ccco1 |w:9.10|
Show InChI InChI=1S/C13H12N2O3/c1-9-4-2-5-10(8-9)12(14)15-18-13(16)11-6-3-7-17-11/h2-8H,1H3,(H2,14,15)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49422
PNG
(2-(3-methoxyphenyl)-1,3-benzothiazole | MLS0005336...)
Show SMILES COc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H11NOS/c1-16-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)17-14/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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49423
PNG
((E)-3-(3,4-dimethylanilino)-2-(3-thienyl)acrylonit...)
Show SMILES Cc1ccc(cc1C)N=CC(C#N)c1ccsc1 |w:8.8|
Show InChI InChI=1S/C15H14N2S/c1-11-3-4-15(7-12(11)2)17-9-14(8-16)13-5-6-18-10-13/h3-7,9-10,14H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114979
PNG
(3-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1ccccc1-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-6-3-2-5-9(10)12-14-13(17-15-12)11-7-4-8-18-11/h2-8H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114980
PNG
(3-chloranyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1...)
Show SMILES Cc1cc(NC(=O)c2nn3cccnc3c2Cl)no1
Show InChI InChI=1S/C11H8ClN5O2/c1-6-5-7(16-19-6)14-11(18)9-8(12)10-13-3-2-4-17(10)15-9/h2-5H,1H3,(H,14,16,18)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49439
PNG
(2-[(4-chlorobenzyl)thio]-3H-imidazo[4,5-c]pyridine...)
Show SMILES Clc1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49454
PNG
((2Z)-2-(1-anilinoethylidene)-1-benzothiophen-3-one...)
Show SMILES CC(=Nc1ccccc1)c1sc2ccccc2c1O |w:2.2|
Show InChI InChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49455
PNG
((2Z)-2-[1-(3-methylanilino)ethylidene]-1-benzothio...)
Show SMILES CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
Show InChI InChI=1S/C17H15NOS/c1-11-6-5-7-13(10-11)18-12(2)17-16(19)14-8-3-4-9-15(14)20-17/h3-10,19H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114982
PNG
(5-Isopropyl-2H-pyrazole-3-carboxylic acid [1-thiop...)
Show SMILES CC(C)c1cc([nH]n1)C(=O)NN=C(C)c1cccs1 |w:11.11|
Show InChI InChI=1S/C13H16N4OS/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49464
PNG
(3-Amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3...)
Show SMILES CCOC(=O)c1sc2nc3CC(C)(CC)OCc3cc2c1N
Show InChI InChI=1S/C16H20N2O3S/c1-4-16(3)7-11-9(8-21-16)6-10-12(17)13(15(19)20-5-2)22-14(10)18-11/h6H,4-5,7-8,17H2,1-3H3
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49470
PNG
(MLS000569762 | N-(2,3-dimethylphenyl)-2-quinolinec...)
Show SMILES Cc1cccc(NC(=O)c2ccc3ccccc3n2)c1C
Show InChI InChI=1S/C18H16N2O/c1-12-6-5-9-15(13(12)2)20-18(21)17-11-10-14-7-3-4-8-16(14)19-17/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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM51792
PNG
(MLS000072836 | N'-cyclopentyl-N'-[2-(cyclopentylam...)
Show SMILES O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
Show InChI InChI=1S/C22H32N4O3/c27-20(25-19-12-5-6-15-23-19)13-7-14-22(29)26(18-10-3-4-11-18)16-21(28)24-17-8-1-2-9-17/h5-6,12,15,17-18H,1-4,7-11,13-14,16H2,(H,24,28)(H,23,25,27)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49482
PNG
(1-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=NC(=S)Nc1ccccc1)c1ccccc1 |w:12.13|
Show InChI InChI=1S/C21H19N3O2S2/c1-16-12-14-19(15-13-16)28(25,26)24-20(17-8-4-2-5-9-17)23-21(27)22-18-10-6-3-7-11-18/h2-15H,1H3,(H2,22,23,24,27)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114983
PNG
(2-(2-naphthalenyl)-1-phthalazinone | 2-(2-naphthyl...)
Show SMILES O=c1n(ncc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O/c21-18-17-8-4-3-7-15(17)12-19-20(18)16-10-9-13-5-1-2-6-14(13)11-16/h1-12H
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114984
PNG
(3-methyl-N'-[(3-methyl-2-thienyl)methylene]-2-...)
Show SMILES Cc1ccsc1C=NNC(=O)c1sccc1C |w:7.8|
Show InChI InChI=1S/C12H12N2OS2/c1-8-3-5-16-10(8)7-13-14-12(15)11-9(2)4-6-17-11/h3-7H,1-2H3,(H,14,15)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49504
PNG
(8-chloranyl-2-phenyl-6-(trifluoromethyl)imidazo[1,...)
Show SMILES FC(F)(F)c1cc(Cl)c2nc(cn2c1)-c1ccccc1
Show InChI InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114985
PNG
(2-thiophenecarboxylic acid [(Z)-[amino-(3-methylph...)
Show SMILES Cc1cccc(c1)C(N)=NOC(=O)c1cccs1 |w:9.10|
Show InChI InChI=1S/C13H12N2O2S/c1-9-4-2-5-10(8-9)12(14)15-17-13(16)11-6-3-7-18-11/h2-8H,1H3,(H2,14,15)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49511
PNG
(1-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]...)
Show SMILES CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C21H22N4O2S/c1-3-22-21(28)25-24-20(26)17-13-19(23-18-8-6-5-7-16(17)18)14-9-11-15(12-10-14)27-4-2/h5-13H,3-4H2,1-2H3,(H,24,26)(H2,22,25,28)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
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