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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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114715
PNG
((4,6-dibromo-2-phenyl-1,3-benzoxazol-5-yl)amine | ...)
Show SMILES Nc1c(Br)cc2oc(nc2c1Br)-c1ccccc1
Show InChI InChI=1S/C13H8Br2N2O/c14-8-6-9-12(10(15)11(8)16)17-13(18-9)7-4-2-1-3-5-7/h1-6H,16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
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
Oxysterols receptor LXR-beta


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM49392
PNG
(6-methyl-2-(5-methyl-1H-benzimidazol-2-yl)thieno[2...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)ccc2c1N
Show InChI InChI=1S/C16H14N4S/c1-8-3-6-11-12(7-8)20-15(19-11)14-13(17)10-5-4-9(2)18-16(10)21-14/h3-7H,17H2,1-2H3,(H,19,20)
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Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114727
PNG
(1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylide...)
Show SMILES NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl2N3OS/c13-9-3-1-7(5-10(9)14)11-4-2-8(18-11)6-16-17-12(15)19/h1-6H,(H3,15,17,19)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM49507
PNG
(4H-3,1-benzothiazin-2-yl-(4-methylbenzyl)amine | M...)
Show SMILES Cc1ccc(CN=C2Nc3ccccc3CS2)cc1
Show InChI InChI=1S/C16H16N2S/c1-12-6-8-13(9-7-12)10-17-16-18-15-5-3-2-4-14(15)11-19-16/h2-9H,10-11H2,1H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM1735
PNG
(cid_6166749)
Show SMILES Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O
Show InChI InChI=1S/C17H14N2O/c1-19-16-10-6-5-9-14(16)18-15(17(19)20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114744
PNG
(5-methyl-3,7-diphenyl-pyrazolo[1,5-a]pyrimidine | ...)
Show SMILES Cc1cc(-c2ccccc2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C19H15N3/c1-14-12-18(16-10-6-3-7-11-16)22-19(21-14)17(13-20-22)15-8-4-2-5-9-15/h2-13H,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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114746
PNG
(1-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)ure...)
Show SMILES Cc1csc(NC(=O)Nc2ccccc2[N+]([O-])=O)n1
Show InChI InChI=1S/C11H10N4O3S/c1-7-6-19-11(12-7)14-10(16)13-8-4-2-3-5-9(8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114750
PNG
(5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyri...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(C)cc(C)n2n1
Show InChI InChI=1S/C15H15N3/c1-10-4-6-13(7-5-10)14-9-15-16-11(2)8-12(3)18(15)17-14/h4-9H,1-3H3
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114751
PNG
(3-(5-nitro-1,3-benzoxazol-2-yl)phenol | MLS0007155...)
Show SMILES Oc1cccc(c1)-c1nc2cc(ccc2o1)[N+]([O-])=O
Show InChI InChI=1S/C13H8N2O4/c16-10-3-1-2-8(6-10)13-14-11-7-9(15(17)18)4-5-12(11)19-13/h1-7,16H
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM49903
PNG
(4-(4-chlorophenyl)-1-(6-fluoranylpyridin-2-yl)pyra...)
Show SMILES Nc1nn(cc1-c1ccc(Cl)cc1)-c1cccc(F)n1
Show InChI InChI=1S/C14H10ClFN4/c15-10-6-4-9(5-7-10)11-8-20(19-14(11)17)13-3-1-2-12(16)18-13/h1-8H,(H2,17,19)
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49908
PNG
(2-(3-nitro-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,...)
Show SMILES CC(C)c1ccc(cc1)-n1cnn(-c2ncccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N5O3/c1-11(2)12-5-7-13(8-6-12)19-10-18-20(16(19)22)15-14(21(23)24)4-3-9-17-15/h3-11H,1-2H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM90654
PNG
(2-[5-(3-Nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrid...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8N4O3/c18-17(19)10-5-3-4-9(8-10)13-15-12(16-20-13)11-6-1-2-7-14-11/h1-8H
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM93859
PNG
(3,6-diphenyl-1,2,4-triazine | MLS000911953 | SMR00...)
Show SMILES c1ccc(cc1)-c1cnc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-11-16-15(18-17-14)13-9-5-2-6-10-13/h1-11H
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


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


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114800
PNG
((3Z)-7-methyl-1H-indole-2,3-dione 3-(phenylhydrazo...)
Show SMILES Cc1cccc2=C(NNc3ccccc3)C(=O)N=c12
Show InChI InChI=1S/C15H13N3O/c1-10-6-5-9-12-13(10)16-15(19)14(12)18-17-11-7-3-2-4-8-11/h2-9,17H,1H3,(H,16,18,19)
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM76704
PNG
((2Z)-2-(p-tolyl)-2-(quinazolin-4-ylhydrazono)aceti...)
Show SMILES CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C19H18N4O2/c1-3-25-19(24)17(14-10-8-13(2)9-11-14)22-23-18-15-6-4-5-7-16(15)20-12-21-18/h4-12H,3H2,1-2H3,(H,20,21,23)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114808
PNG
(3-(4-bromophenyl)-5-triazolo[1,5-a]quinazolinamine...)
Show SMILES Nc1nc2c(nnn2c2ccccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H10BrN5/c16-10-7-5-9(6-8-10)13-15-18-14(17)11-3-1-2-4-12(11)21(15)20-19-13/h1-8H,(H2,17,18)
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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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114817
PNG
(MLS002251598 | N-(3-cyano-2-thienyl)-2-(1,3,4-thia...)
Show SMILES O=C(CSc1nncs1)Nc1sccc1C#N
Show InChI InChI=1S/C9H6N4OS3/c10-3-6-1-2-15-8(6)12-7(14)4-16-9-13-11-5-17-9/h1-2,5H,4H2,(H,12,14)
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM93915
PNG
(2-[2-(2,4-dichlorophenyl)ethenyl]pyridine | 2-[2-(...)
Show SMILES Clc1ccc(C=Cc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C13H9Cl2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114821
PNG
(2-(4-fluorophenyl)-5-(2-naphthalenyl)-1,3,4-oxadia...)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H11FN2O/c19-16-9-7-13(8-10-16)17-20-21-18(22-17)15-6-5-12-3-1-2-4-14(12)11-15/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114822
PNG
(1-[2-(1H-indol-3-yl)ethenyl]isoquinoline | 1-[2-(1...)
Show SMILES C(=Cc1nccc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H14N2/c1-2-6-16-14(5-1)11-12-20-19(16)10-9-15-13-21-18-8-4-3-7-17(15)18/h1-13,21H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114828
PNG
((1Z)-1-[amino(phenyl)methylene]-3-(1,3-benzodioxol...)
Show SMILES NC(=NC(=S)Nc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c16-14(10-4-2-1-3-5-10)18-15(21)17-11-6-7-12-13(8-11)20-9-19-12/h1-8H,9H2,(H3,16,17,18,21)
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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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114830
PNG
(3-(4-methoxyphenyl)-1H-isochromen-1-one | 3-(4-met...)
Show SMILES COc1ccc(cc1)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12O3/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16(17)19-15/h2-10H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM38855
PNG
(2-(2-furanyl)-3-methylbenzo[f]benzimidazole | 2-(2...)
Show SMILES Cn1c(nc2cc3ccccc3cc12)-c1ccco1
Show InChI InChI=1S/C16H12N2O/c1-18-14-10-12-6-3-2-5-11(12)9-13(14)17-16(18)15-7-4-8-19-15/h2-10H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM32227
PNG
(2-(1H-quinolin-2-ylidene)indane-1,3-quinone | 2-(1...)
Show SMILES O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM39099
PNG
(4H-3,1-benzothiazin-2-yl(p-tolyl)amine | MLS000054...)
Show SMILES Cc1ccc(cc1)N=C1Nc2ccccc2CS1
Show InChI InChI=1S/C15H14N2S/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49272
PNG
(2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-...)
Show SMILES COc1ccc(cc1)-c1cn2c3CCCCc3sc2n1
Show InChI InChI=1S/C16H16N2OS/c1-19-12-8-6-11(7-9-12)13-10-18-14-4-2-3-5-15(14)20-16(18)17-13/h6-10H,2-5H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114720
PNG
(2-[(2-furanylmethylamino)methylidene]indene-1,3-di...)
Show SMILES O=C1C(=CNCc2ccco2)C(=O)c2ccccc12
Show InChI InChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,16H,8H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM49453
PNG
((2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-...)
Show SMILES CN1\C(Sc2ccccc12)=C\C(=O)c1cccs1
Show InChI InChI=1S/C14H11NOS2/c1-15-10-5-2-3-6-12(10)18-14(15)9-11(16)13-7-4-8-17-13/h2-9H,1H3/b14-9-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM76438
PNG
(2-(5-bromanylthiophen-2-yl)-6-chloranyl-imidazo[1,...)
Show SMILES Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
Show InChI InChI=1S/C11H6BrClN2S/c12-10-3-2-9(16-10)8-6-15-5-7(13)1-4-11(15)14-8/h1-6H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM49532
PNG
((6E)-6-(3-phenyl-3-isoxazolin-5-ylidene)cyclohexa-...)
Show SMILES Oc1ccccc1-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c17-14-9-5-4-8-12(14)15-10-13(16-18-15)11-6-2-1-3-7-11/h1-10,17H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM83759
PNG
((2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-yl)ami...)
Show SMILES Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
Show InChI InChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18)
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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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM93791
PNG
(2-[(E)-2-(2,6-difluorophenyl)ethenyl]quinoline | 2...)
Show SMILES Fc1cccc(F)c1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C17H11F2N/c18-15-5-3-6-16(19)14(15)11-10-13-9-8-12-4-1-2-7-17(12)20-13/h1-11H/b11-10+
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM76503
PNG
(3-chloranyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzot...)
Show SMILES Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
Show InChI InChI=1S/C13H9ClN2OS2/c1-7-6-15-13(18-7)16-12(17)11-10(14)8-4-2-3-5-9(8)19-11/h2-6H,1H3,(H,15,16,17)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114764
PNG
(MLS001005311 | N-[(E)-(2,6-difluorophenyl)methylid...)
Show SMILES Fc1cccc(F)c1CN=Nc1ccccn1
Show InChI InChI=1S/C12H9F2N3/c13-10-4-3-5-11(14)9(10)8-16-17-12-6-1-2-7-15-12/h1-7H,8H2
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM114767
PNG
(4-methyl-2-(4-methylphenyl)azoaniline | 4-methyl-2...)
Show SMILES Cc1ccc(cc1)\N=N\c1cc(C)ccc1N
Show InChI InChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3/b17-16+
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM34982
PNG
((4E)-4-[[[4-(2-fluorophenyl)-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H14FN3O3S/c1-19-17-21(13(9-25-17)11-4-2-3-5-12(11)18)20-8-10-6-7-14(22)16(24)15(10)23/h2-9,22-24H,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM51880
PNG
(4-[3-(2,4-diamino-5-methylphenyl)azo-4-methylpheny...)
Show SMILES Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
Show InChI InChI=1S/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3/b28-26+,29-27+
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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
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* indicates data uncertainty>20%