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PubChem AID 743037

Compile Data Set for Download or QSAR

Found 247 hits of Enzyme Inhibition Constant Data   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114716
PNG
(3-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto...)
Show SMILES Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C20H18N4O2S/c1-13-10-17(14(2)23(13)11-15-6-5-9-27-15)19(25)12-24-20(26)16-7-3-4-8-18(16)21-22-24/h3-10H,11-12H2,1-2H3
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114717
PNG
(4-hydroxy-2,6-diphenyl-1,4-oxaphosphinine 4-oxide ...)
Show SMILES OP1(=O)C=C(OC(=C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)
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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114721
PNG
(2-(4-chlorophenyl)-1(2H)-phthalazinone | 2-(4-chlo...)
Show SMILES Clc1ccc(cc1)-n1ncc2ccccc2c1=O
Show InChI InChI=1S/C14H9ClN2O/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

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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM97199
PNG
(MLS000522615 | N-(4-ethylphenyl)-3-pyrazolo[1,5-a]...)
Show SMILES CCc1ccc(NC(=O)c2cnn3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-2-12-6-8-13(9-7-12)18-16(20)14-11-17-19-10-4-3-5-15(14)19/h3-11H,2H2,1H3,(H,18,20)
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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
Liver X receptor (LXR alpha AND 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
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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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
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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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114738
PNG
(1-(4-Methyl-pyridin-2-yl)-3-(thiophene-2-carbonyl)...)
Show SMILES Cc1ccnc(NC(=S)NC(=O)c2cccs2)c1
Show InChI InChI=1S/C12H11N3OS2/c1-8-4-5-13-10(7-8)14-12(17)15-11(16)9-3-2-6-18-9/h2-7H,1H3,(H2,13,14,15,16,17)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM96047
PNG
(MLS000334786 | N-[(E)-[3-(1-benzofuran-2-yl)-1-phe...)
Show SMILES O=C(N\N=C\c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)/b26-15+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114742
PNG
((5Z)-5-(1H-indol-3-ylmethylene)-2-(methylthio)-2-i...)
Show SMILES CSC1=NC(=O)C(N1)=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H11N3OS/c1-18-13-15-11(12(17)16-13)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,14H,1H3,(H,15,16,17)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114748
PNG
(5-(3-methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1nc(no1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)13-14-12(15-17-13)11-6-3-7-18-11/h2-8H,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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49882
PNG
(3-[(N''E)-N''-[(3-methyl-2-thienyl)methylene]hydra...)
Show SMILES Cc1ccsc1CN=Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H12N2O2S/c1-9-5-6-18-12(9)8-14-15-11-4-2-3-10(7-11)13(16)17/h2-7H,8H2,1H3,(H,16,17)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM83925
PNG
(MLS001005319 | SMR000348684 | [5-(2-nitrophenyl)-2...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(o1)C(=S)N1CCCC1
Show InChI InChI=1S/C15H14N2O3S/c18-17(19)12-6-2-1-5-11(12)13-7-8-14(20-13)15(21)16-9-3-4-10-16/h1-2,5-8H,3-4,9-10H2
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114772
PNG
((2Z)-2-(phenylhydrazinylidene)-1-benzothiophen-3-o...)
Show SMILES Oc1c(N=Nc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)18-14(13)16-15-10-6-2-1-3-7-10/h1-9,17H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114773
PNG
(2,5-bis(2-pyridinyl)-1,3,4-thiadiazole | 2,5-bis(2...)
Show SMILES c1ccc(nc1)-c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114778
PNG
(2-(5-pyridin-2-ylthiophen-2-yl)pyridine | 2-[5-(2-...)
Show SMILES c1cc(sc1-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C14H10N2S/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12/h1-10H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114783
PNG
(2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,...)
Show SMILES CSc1ccc(cc1)C1=NNC(S1)c1ccccc1
Show InChI InChI=1S/C15H14N2S2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10,14,16H,1H3
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76615
PNG
(1-(1-azulenyl)-2-phenyldiazene | 1-azulenyl(phenyl...)
Show SMILES c1cc2cccccc2c1\N=N\c1ccccc1
Show InChI InChI=1S/C16H12N2/c1-3-7-13-11-12-16(15(13)10-6-1)18-17-14-8-4-2-5-9-14/h1-12H/b18-17+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114785
PNG
(2-[[(2-biphenyl-4-yl-5-methyl-1,3-oxazol-4-yl)meth...)
Show SMILES CC(C)N(CCO)Cc1nc(oc1C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-16(2)24(13-14-25)15-21-17(3)26-22(23-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,16,25H,13-15H2,1-3H3
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76632
PNG
((4,6-dimethylpyrimidin-2-yl)-(4-phenylthiazol-2-yl...)
Show SMILES Cc1cc(C)nc(Nc2nc(cs2)-c2ccccc2)n1
Show InChI InChI=1S/C15H14N4S/c1-10-8-11(2)17-14(16-10)19-15-18-13(9-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18,19)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114794
PNG
((4E)-4-[(4-bromophenyl)hydrazono]-5-keto-3-methyl-...)
Show SMILES Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrN5OS/c1-6-9(10(18)17(16-6)11(13)19)15-14-8-4-2-7(12)3-5-8/h2-5,16H,1H3,(H2,13,19)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114797
PNG
(2-methylbenzoic acid [(Z)-[amino(phenyl)methylene]...)
Show SMILES Cc1ccccc1C(=O)ON=C(N)c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c1-11-7-5-6-10-13(11)15(18)19-17-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114798
PNG
(MLS001195000 | N-[(3-chloroanilino)-oxomethyl]-2-m...)
Show SMILES COc1ccccc1C(=O)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c1-21-13-8-3-2-7-12(13)14(19)18-15(20)17-11-6-4-5-10(16)9-11/h2-9H,1H3,(H2,17,18,19,20)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114801
PNG
(3-(5-bromanylfuran-2-yl)-5-(2-fluorophenyl)-1,2,4-...)
Show SMILES Fc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Show InChI InChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76719
PNG
(1-(1H-benzimidazol-2-yl)-3-(2-fluorophenyl)urea | ...)
Show SMILES Fc1ccccc1NC(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H11FN4O/c15-9-5-1-2-6-10(9)18-14(20)19-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H3,16,17,18,19,20)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114811
PNG
(MLS000936812 | N-[(2-chloranylpyridin-3-yl)carbamo...)
Show SMILES COc1ccccc1C(=O)NC(=S)Nc1cccnc1Cl
Show InChI InChI=1S/C14H12ClN3O2S/c1-20-11-7-3-2-5-9(11)13(19)18-14(21)17-10-6-4-8-16-12(10)15/h2-8H,1H3,(H2,17,18,19,21)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114816
PNG
(3-[4-(dimethylamino)phenyl]-2-benzopyran-1-one | 3...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C17H15NO2/c1-18(2)14-9-7-12(8-10-14)16-11-13-5-3-4-6-15(13)17(19)20-16/h3-11H,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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES C[C@]12[C@H]([C@H]3COc4ccccc4[C@@H]3N1C(=O)c1cc(Cl)ccc1NC2=O)c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114826
PNG
(2-(3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazol[5,1...)
Show SMILES COc1cccc(c1)-c1nc2-c3ccccc3CCn2n1
Show InChI InChI=1S/C17H15N3O/c1-21-14-7-4-6-13(11-14)16-18-17-15-8-3-2-5-12(15)9-10-20(17)19-16/h2-8,11H,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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM39548
PNG
((2-phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-...)
Show SMILES Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c1-18-9-5-8-14(18)16(19)20-10-13-11-21-15(17-13)12-6-3-2-4-7-12/h2-9,11H,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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM38985
PNG
(2-(1-isoquinolinyl)indene-1,3-dione | 2-(1-isoquin...)
Show SMILES O=C1C(C(=O)c2ccccc12)c1nccc2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-17-13-7-3-4-8-14(13)18(21)15(17)16-12-6-2-1-5-11(12)9-10-19-16/h1-10,15H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114718
PNG
(2-[5-(1-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H11N3O/c1-2-8-13-12(6-1)7-5-9-14(13)17-19-16(20-21-17)15-10-3-4-11-18-15/h1-11H
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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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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

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
Liver X receptor (LXR alpha AND 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

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
Liver X receptor (LXR alpha AND 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

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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49546
PNG
(2-chlorobenzoic acid [(Z)-[amino(phenyl)methylene]...)
Show SMILES NC(=NOC(=O)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)14(18)19-17-13(16)10-6-2-1-3-7-10/h1-9H,(H2,16,17)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM66032
PNG
(2,4-dichlorobenzoic acid [(Z)-[amino(phenyl)methyl...)
Show SMILES NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C14H10Cl2N2O2/c15-10-6-7-11(12(16)8-10)14(19)20-18-13(17)9-4-2-1-3-5-9/h1-8H,(H2,17,18)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM96034
PNG
((2-Phenyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-...)
Show SMILES NNc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H16N4S/c17-20-15-13-11-8-4-5-9-12(11)21-16(13)19-14(18-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,17H2,(H,18,19,20)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM51101
PNG
((benzalamino)-benzo[cd]indol-2-yl-amine | MLS00039...)
Show SMILES N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C18H13N3/c1-2-6-13(7-3-1)12-19-21-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-12H,(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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49785
PNG
(MLS000662240 | N-(5-bromanyl-6-methyl-pyridin-2-yl...)
Show SMILES Cc1nc(NC(=O)c2cccs2)ccc1Br
Show InChI InChI=1S/C11H9BrN2OS/c1-7-8(12)4-5-10(13-7)14-11(15)9-3-2-6-16-9/h2-6H,1H3,(H,13,14,15)
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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/Q23F4N80
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%