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PubChem AID 743052

Compile Data Set for Download or QSAR

Found 237 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))
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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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
Liver X receptor (LXR alpha AND 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
Liver X receptor (LXR alpha AND 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
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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49455
PNG
((2Z)-2-[1-(3-methylanilino)ethylidene]-1-benzothio...)
Show SMILES CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O
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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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114988
PNG
(2,3,4,7,8,9,10,11-octahydro-1H-[1]benzothieno[2,3-...)
Show SMILES Nc1c2CCCCCc2nc2sc3CCCCc3c12
Show InChI InChI=1S/C16H20N2S/c17-15-10-6-2-1-3-8-12(10)18-16-14(15)11-7-4-5-9-13(11)19-16/h1-9H2,(H2,17,18)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114852
PNG
((2E)-2-(2-thenylidene)benzo[e]benzothiophen-1-one ...)
Show SMILES O=C1\C(Sc2ccc3ccccc3c12)=C/c1cccs1
Show InChI InChI=1S/C17H10OS2/c18-17-15(10-12-5-3-9-19-12)20-14-8-7-11-4-1-2-6-13(11)16(14)17/h1-10H/b15-10+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114992
PNG
(2-thiophenecarboxylic acid [(Z)-[amino-(4-methylph...)
Show SMILES Cc1ccc(cc1)C(N)=NOC(=O)c1cccs1
Show InChI InChI=1S/C13H12N2O2S/c1-9-4-6-10(7-5-9)12(14)15-17-13(16)11-3-2-8-18-11/h2-8H,1H3,(H2,14,15)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114995
PNG
(2-Methyl-furan-3-carboxylic acid [1-(5-methyl-thio...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2ccoc2C)s1
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-4-10(17-8)7-13-14-12(15)11-5-6-16-9(11)2/h3-7H,1-2H3,(H,14,15)/b13-7+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114998
PNG
(6-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-cyclohe...)
Show SMILES Cc1nn(c(C)c1Br)-c1nnc(NC2CCCCC2)nn1
Show InChI InChI=1S/C13H18BrN7/c1-8-11(14)9(2)21(20-8)13-18-16-12(17-19-13)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,16,17)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49665
PNG
(4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiaz...)
Show SMILES COCCNc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C14H14N2O2S/c1-17-7-6-15-14-16-11(9-19-14)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115003
PNG
(2,6-bis(3-methyl-1-pyrazolyl)pyridine | 2,6-bis(3-...)
Show SMILES Cc1ccn(n1)-c1cccc(n1)-n1ccc(C)n1
Show InChI InChI=1S/C13H13N5/c1-10-6-8-17(15-10)12-4-3-5-13(14-12)18-9-7-11(2)16-18/h3-9H,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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49768
PNG
((E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-3-p...)
Show SMILES COCCNC(=O)C(=C\c1cc(C)n(c1C)-c1ccc(C)cc1)\C#N
Show InChI InChI=1S/C20H23N3O2/c1-14-5-7-19(8-6-14)23-15(2)11-17(16(23)3)12-18(13-21)20(24)22-9-10-25-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)/b18-12+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115016
PNG
(MLS000711438 | N-(2-pyridinyl)-4,5,6,7-tetrahydro-...)
Show SMILES O=C(Nc1ccccn1)c1csc2CCCCc12
Show InChI InChI=1S/C14H14N2OS/c17-14(16-13-7-3-4-8-15-13)11-9-18-12-6-2-1-5-10(11)12/h3-4,7-9H,1-2,5-6H2,(H,15,16,17)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115017
PNG
(5-(2-thienyl)-1H-pyrazole-3-carboxylic acid | 5-th...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C8H6N2O2S/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115019
PNG
(2-(4-methylphenyl)imidazo[1,2-a]pyrimidine | 2-(p-...)
Show SMILES Cc1ccc(cc1)-c1cn2cccnc2n1
Show InChI InChI=1S/C13H11N3/c1-10-3-5-11(6-4-10)12-9-16-8-2-7-14-13(16)15-12/h2-9H,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM69226
PNG
(MLS000766036 | N,N'-bis(2-pyridinyl)oxamide | N,N'...)
Show SMILES O=C(Nc1ccccn1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C12H10N4O2/c17-11(15-9-5-1-3-7-13-9)12(18)16-10-6-2-4-8-14-10/h1-8H,(H,13,15,17)(H,14,16,18)
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Assay Description
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115023
PNG
(3-(2-pyridinyl)-6-(2-pyridinylmethylthio)pyridazin...)
Show SMILES C(Sc1ccc(nn1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C15H12N4S/c1-3-9-16-12(5-1)11-20-15-8-7-14(18-19-15)13-6-2-4-10-17-13/h1-10H,11H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76554
PNG
((5Z)-5-[(3-methoxyphenyl)hydrazinylidene]-2,4-dime...)
Show SMILES CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(OC)c2)c1C
Show InChI InChI=1S/C16H19N3O3/c1-5-22-16(20)14-10(2)15(17-11(14)3)19-18-12-7-6-8-13(9-12)21-4/h6-9,17H,5H2,1-4H3/b19-18+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115033
PNG
((E)-1-(2-furyl)ethylidene-[2-methylimino-4-(2-thie...)
Show SMILES CN=c1scc(-c2cccs2)n1N=C(C)c1ccco1
Show InChI InChI=1S/C14H13N3OS2/c1-10(12-5-3-7-18-12)16-17-11(9-20-14(17)15-2)13-6-4-8-19-13/h3-9H,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115038
PNG
(2,4-bis(azanyl)-6-[(4-bromophenyl)amino]pyrimidine...)
Show SMILES Nc1nc(N)c(C#N)c(Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C11H9BrN6/c12-6-1-3-7(4-2-6)16-10-8(5-13)9(14)17-11(15)18-10/h1-4H,(H5,14,15,16,17,18)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115040
PNG
((3E)-2-keto-3-vanillylidene-indolizine-1-carbonitr...)
Show SMILES COc1cc(\C=C2\N3C=CC=CC3=C(C#N)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O3/c1-22-16-9-11(5-6-15(16)20)8-14-17(21)12(10-18)13-4-2-3-7-19(13)14/h2-9,20H,1H3/b14-8+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115056
PNG
(2-(4-Fluoro-phenyl)-6-methyl-2H-benzotriazol-5-yla...)
Show SMILES Cc1cc2nn(nc2cc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN4/c1-8-6-12-13(7-11(8)15)17-18(16-12)10-4-2-9(14)3-5-10/h2-7H,15H2,1H3
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114931
PNG
(6-chloranyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES Clc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C13H8Cl2N2/c14-10-3-1-9(2-4-10)12-8-17-7-11(15)5-6-13(17)16-12/h1-8H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76702
PNG
(MLS001193335 | N,3-diphenyl-1,2,4-thiadiazol-5-ami...)
Show SMILES N(c1nc(ns1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11N3S/c1-3-7-11(8-4-1)13-16-14(18-17-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115062
PNG
(5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-[(3...)
Show SMILES CC(C)c1cc(CNC(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)on1
Show InChI InChI=1S/C20H22ClN3O4/c1-11(2)17-7-15(27-23-17)9-22-20(25)18-8-16(28-24-18)10-26-14-5-12(3)19(21)13(4)6-14/h5-8,11H,9-10H2,1-4H3,(H,22,25)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115069
PNG
((6Z)-5-azanylidene-6-[[4-[(2-fluorophenyl)methoxy]...)
Show SMILES Fc1ccccc1COc1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)cc1
Show InChI InChI=1S/C25H22FN5O4S/c26-20-4-2-1-3-17(20)15-35-18-7-5-16(6-8-18)13-19-23(27)31-25(28-24(19)33)36-21(29-31)14-22(32)30-9-11-34-12-10-30/h1-8,13,27H,9-12,14-15H2/b19-13-,27-23?
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115072
PNG
(1-[(E)-2-(2-pyridinyl)ethenyl]benzotriazole | 1-[(...)
Show SMILES C(=C/n1nnc2ccccc12)\c1ccccn1
Show InChI InChI=1S/C13H10N4/c1-2-7-13-12(6-1)15-16-17(13)10-8-11-5-3-4-9-14-11/h1-10H/b10-8+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115082
PNG
(MLS002249268 | N-[(2-bromanyl-4-methyl-phenyl)carb...)
Show SMILES Cc1ccc(NC(=S)NC(=O)C2CCCC2)c(Br)c1
Show InChI InChI=1S/C14H17BrN2OS/c1-9-6-7-12(11(15)8-9)16-14(19)17-13(18)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,16,17,18,19)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115089
PNG
(1,3-diphenyl-1-propanone oxime | 1,3-diphenylpropa...)
Show SMILES O=NC(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO/c17-16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115093
PNG
((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115097
PNG
(MLS003115861 | SMR001831427 | [2-amino-3-(benzenes...)
Show SMILES Nc1c(OS(=O)(=O)c2ccccc2)cccc1OS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO6S2/c19-18-16(24-26(20,21)14-8-3-1-4-9-14)12-7-13-17(18)25-27(22,23)15-10-5-2-6-11-15/h1-13H,19H2
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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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
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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND 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
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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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
Liver X receptor (LXR alpha AND 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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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM43701
PNG
((5-Methyl-4-nitro-2H-pyrazol-3-yl)-m-tolyl-amine |...)
Show SMILES Cc1n[nH]c(Nc2cccc(C)c2)c1[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O2/c1-7-4-3-5-9(6-7)12-11-10(15(16)17)8(2)13-14-11/h3-6H,1-2H3,(H2,12,13,14)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM49614
PNG
((6Z)-5-azanylidene-6-(furan-2-ylmethylidene)-2-met...)
Show SMILES CC1=CN2C(S1)=NC(=O)\C(=C/c1ccco1)C2=N
Show InChI InChI=1S/C12H9N3O2S/c1-7-6-15-10(13)9(5-8-3-2-4-17-8)11(16)14-12(15)18-7/h2-6,13H,1H3/b9-5-,13-10?
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115001
PNG
(3-[(2-fluorophenyl)sulfanylmethyl]-1,2,3-benzotria...)
Show SMILES Fc1ccccc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C14H10FN3OS/c15-11-6-2-4-8-13(11)20-9-18-14(19)10-5-1-3-7-12(10)16-17-18/h1-8H,9H2
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115013
PNG
(3-(5-bromanylfuran-2-yl)-5-phenyl-1,2,4-oxadiazole...)
Show SMILES Brc1ccc(o1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C12H7BrN2O2/c13-10-7-6-9(16-10)11-14-12(17-15-11)8-4-2-1-3-5-8/h1-7H
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM72483
PNG
(2-[1-(2-methylpropyl)-4-[(5-methyl-2-thiophenyl)me...)
Show SMILES CC(C)CN1CCN(Cc2ccc(C)s2)CC1CCO
Show InChI InChI=1S/C16H28N2OS/c1-13(2)10-18-8-7-17(11-15(18)6-9-19)12-16-5-4-14(3)20-16/h4-5,13,15,19H,6-12H2,1-3H3
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115037
PNG
(2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzod...)
Show SMILES Cc1ccc2N=C(CC(=Nc2c1)c1ccccc1)C(Cl)Cl
Show InChI InChI=1S/C17H14Cl2N2/c1-11-7-8-13-15(9-11)21-14(10-16(20-13)17(18)19)12-5-3-2-4-6-12/h2-9,17H,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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115039
PNG
((3Z)-3-(anilinomethylene)oxindole | (3Z)-3-(anilin...)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccccc1
Show InChI InChI=1S/C15H12N2O/c18-15-13(10-16-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10,13H,(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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM115045
PNG
(5-bromanyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Show InChI InChI=1S/C15H11BrN2O2S/c1-9-17-12(8-21-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)20-13/h2-8H,1H3,(H,18,19)
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM62134
PNG
(1-(2-fluorophenyl)-3-(6-mesyl-1,3-benzothiazol-2-y...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3F)sc2c1
Show InChI InChI=1S/C15H12FN3O3S2/c1-24(21,22)9-6-7-12-13(8-9)23-15(18-12)19-14(20)17-11-5-3-2-4-10(11)16/h2-8H,1H3,(H2,17,18,19,20)
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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/Q2ZP44SP
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM77817
PNG
((E)-3-(2-chlorophenyl)-N-phenyl-2-propenamide | (E...)
Show SMILES Clc1ccccc1\C=C\C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H12ClNO/c16-14-9-5-4-6-12(14)10-11-15(18)17-13-7-2-1-3-8-13/h1-11H,(H,17,18)/b11-10+
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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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM96015
PNG
(3-(4-fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyr...)
Show SMILES Nc1c(cnc2c(cnn12)-c1ccc(F)cc1)-c1cccs1
Show InChI InChI=1S/C16H11FN4S/c17-11-5-3-10(4-6-11)12-9-20-21-15(18)13(8-19-16(12)21)14-2-1-7-22-14/h1-9H,18H2
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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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* indicates data uncertainty>20%