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Compile Data Set for Download or QSAR

Found 487 hits Enz. Inhib. hit(s) with Target = 'Protein DAF-12, isoform a' AND taxid = 6239   
Target
(Institution)
LigandTarget
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
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114939
PNG
(4-morpholinyl-(4-nitrophenyl)methanone | MLS002637...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C11H12N2O4/c14-11(12-5-7-17-8-6-12)9-1-3-10(4-2-9)13(15)16/h1-4H,5-8H2
KEGG

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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


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


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114916
PNG
((E)-1-(1H-indol-3-yl)-3-phenyl-2-propen-1-one | (E...)
Show SMILES O=C(\C=C\c1ccccc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H13NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h1-12,18H/b11-10+
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114942
PNG
(MLS002693749 | SMR001559691 | cid_96396 | cyclopro...)
Show SMILES Cc1ccc(C(=O)C2CC2)c(C)c1
Show InChI InChI=1S/C12H14O/c1-8-3-6-11(9(2)7-8)12(13)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114936
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)-...)
Show SMILES Fc1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N
Show InChI InChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114944
PNG
(MLS002702420 | N-[2-(dimethylamino)ethyl]-5-methyl...)
Show SMILES CNc1c2cccc(C)c2nc2c(cccc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C20H24N4O/c1-13-7-5-8-14-17(13)23-19-15(18(14)21-2)9-6-10-16(19)20(25)22-11-12-24(3)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,25)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114958
PNG
(2-ethyl-10-indeno[1,2-g]quinolinone | 2-ethylinden...)
Show SMILES CCc1ccc2cc3-c4ccccc4C(=O)c3cc2n1
Show InChI InChI=1S/C18H13NO/c1-2-12-8-7-11-9-15-13-5-3-4-6-14(13)18(20)16(15)10-17(11)19-12/h3-10H,2H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM76740
PNG
(3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarb...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C16H14N2O2/c1-10-7-8-14(17-9-10)18-16(19)15-11(2)12-5-3-4-6-13(12)20-15/h3-9H,1-2H3,(H,17,18,19)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114934
PNG
(2-(pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole |...)
Show SMILES C(Sc1ccccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C13H10N2S2/c1-2-6-11-10(5-1)15-13(17-11)9-16-12-7-3-4-8-14-12/h1-8H,9H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114854
PNG
(3-amino-2-(3,4,5-trimethoxyphenyl)-4-quinazolinone...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2ccccc2c(=O)n1N
Show InChI InChI=1S/C17H17N3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)16-19-12-7-5-4-6-11(12)17(21)20(16)18/h4-9H,18H2,1-3H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM96061
PNG
(2-(4-Ethyl-phenyl)-6-methyl-2H-benzotriazol-5-ylam...)
Show SMILES CCc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
Show InChI InChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114902
PNG
(MLS000685462 | N-[3-keto-3-[N'-(2-ketoindol-3-yl)h...)
Show SMILES O=C(CCNC(=O)c1ccccc1)NNC1=c2ccccc2=NC1=O
Show InChI InChI=1S/C18H16N4O3/c23-15(10-11-19-17(24)12-6-2-1-3-7-12)21-22-16-13-8-4-5-9-14(13)20-18(16)25/h1-9H,10-11H2,(H,19,24)(H,21,23)(H,20,22,25)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM47509
PNG
(5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...)
Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114913
PNG
(1-methyl-5-nitro-N-(phenylmethyl)-4-imidazolamine ...)
Show SMILES Cn1cnc(NCc2ccccc2)c1[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O2/c1-14-8-13-10(11(14)15(16)17)12-7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114927
PNG
(2-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]-N-(2...)
Show SMILES COCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H18ClN3O3/c1-26-11-10-21-17(24)12-23-19(25)16-5-3-2-4-15(16)18(22-23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,24)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114907
PNG
(1-(1H-indol-3-yl)-2-(1-methylimidazol-2-yl)sulfany...)
Show SMILES Cn1ccnc1SCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H13N3OS/c1-17-7-6-15-14(17)19-9-13(18)11-8-16-12-5-3-2-4-10(11)12/h2-8,16H,9H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114886
PNG
(5,7-dimethyl-2-phenyl-pyrazolo[1,5-a]pyrimidine | ...)
Show SMILES Cc1cc(C)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-10-8-11(2)17-14(15-10)9-13(16-17)12-6-4-3-5-7-12/h3-9H,1-2H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114880
PNG
(2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1ccnn1C
Show InChI InChI=1S/C13H13N3O3/c1-16-11(7-8-14-16)12(17)15-10-6-4-3-5-9(10)13(18)19-2/h3-8H,1-2H3,(H,15,17)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM95918
PNG
((1-Methyl-1H-benzoimidazol-2-yl)-(4-methyl-benzyl)...)
Show SMILES Cc1ccc(CNc2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C16H17N3/c1-12-7-9-13(10-8-12)11-17-16-18-14-5-3-4-6-15(14)19(16)2/h3-10H,11H2,1-2H3,(H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49263
PNG
(MLS000062670 | N-(5-methyl-2-pyridinyl)-2-quinolin...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1
Show InChI InChI=1S/C16H13N3O/c1-11-6-9-15(17-10-11)19-16(20)14-8-7-12-4-2-3-5-13(12)18-14/h2-10H,1H3,(H,17,19,20)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114873
PNG
(2-(2-bromanyl-4-chloranyl-phenoxy)-5-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1
Show InChI InChI=1S/C12H6BrClF3NO/c13-9-5-8(14)2-3-10(9)19-11-4-1-7(6-18-11)12(15,16)17/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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM79545
PNG
(4-(4-{2-nitrovinyl}-3-methylphenyl)morpholine | 4-...)
Show SMILES Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
Show InChI InChI=1S/C13H16N2O3/c1-11-10-13(14-6-8-18-9-7-14)3-2-12(11)4-5-15(16)17/h2-5,10H,6-9H2,1H3/b5-4-
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114901
PNG
(3-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]be...)
Show SMILES OC(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12N2O7/c25-19(12-3-1-6-16(9-12)24(30)31)13-7-8-17-18(11-13)21(27)23(20(17)26)15-5-2-4-14(10-15)22(28)29/h1-11H,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114955
PNG
(2-(2-furanyl)-3-(phenylmethyl)imidazo[2,1-a]isoqui...)
Show SMILES C(c1c(nc2c3ccccc3ccn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c1-2-7-16(8-3-1)15-19-21(20-11-6-14-25-20)23-22-18-10-5-4-9-17(18)12-13-24(19)22/h1-14H,15H2
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114895
PNG
(MLS000420257 | N-(3-methyl-1,3-benzothiazol-2-ylid...)
Show SMILES Cn1c2ccccc2s\c1=N/C(=O)c1ccco1
Show InChI InChI=1S/C13H10N2O2S/c1-15-9-5-2-3-7-11(9)18-13(15)14-12(16)10-6-4-8-17-10/h2-8H,1H3/b14-13-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114924
PNG
(5-Chloro-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-m...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H14ClNO4/c1-20-13-4-2-10(17)8-12(13)16(19)18-11-3-5-14-15(9-11)22-7-6-21-14/h2-5,8-9H,6-7H2,1H3,(H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM72583
PNG
(3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydr...)
Show SMILES FC(F)(F)c1cccc(c1)-n1nc2c(cc1=O)[nH][nH]c2=O
Show InChI InChI=1S/C12H5F3N4O2/c13-12(14,15)6-2-1-3-7(4-6)19-9(20)5-8-10(18-19)11(21)17-16-8/h1-5H
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114869
PNG
(2,8-dimethyl-4-phenyl-1H-1,5-benzodiazepine | 4,7-...)
Show SMILES Cc1ccc2N=C(CC(C)=Nc2c1)c1ccccc1
Show InChI InChI=1S/C17H16N2/c1-12-8-9-15-17(10-12)18-13(2)11-16(19-15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114892
PNG
(2-(2-chlorobenzyl)-5-phenyl-tetrazole | 2-[(2-chlo...)
Show SMILES Clc1ccccc1Cn1nnc(n1)-c1ccccc1
Show InChI InChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114893
PNG
(MLS000660830 | N-methyl-N-[(E)-3-pyridinylmethylid...)
Show SMILES CN(\N=C\c1cccnc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H13N5/c1-20(18-10-12-5-4-8-16-9-12)15-11-17-13-6-2-3-7-14(13)19-15/h2-11H,1H3/b18-10+
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM50331603
PNG
(2-(1H-Indol-3-yl)-2-oxo-N-phenyl-acetamide | 2-(1H...)
Show SMILES O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H12N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H,(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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM43774
PNG
(MLS001017252 | N-[4-[(1,3-benzothiazol-2-ylhydrazi...)
Show SMILES CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C16H14N4OS/c1-11(21)18-13-8-6-12(7-9-13)10-17-20-16-19-14-4-2-3-5-15(14)22-16/h2-9H,10H2,1H3,(H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114935
PNG
(MLS001174493 | N-(2,3-dihydro-1H-inden-5-yl)-2-met...)
Show SMILES COc1cc(SC)ccc1C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C18H19NO2S/c1-21-17-11-15(22-2)8-9-16(17)18(20)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49917
PNG
(3-(4-fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyr...)
Show SMILES Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccs1
Show InChI InChI=1S/C16H10FN3S/c17-12-5-3-11(4-6-12)13-10-19-20-14(7-8-18-16(13)20)15-2-1-9-21-15/h1-10H
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114899
PNG
((4E)-4-[(4-phenoxyanilino)methylene]-2-pyrazolin-3...)
Show SMILES O=c1[nH][nH]cc1C=Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H13N3O2/c20-16-12(11-18-19-16)10-17-13-6-8-15(9-7-13)21-14-4-2-1-3-5-14/h1-11H,(H2,18,19,20)
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM45062
PNG
((6E)-3-methyl-6-(3-phenyl-3-isoxazolin-5-ylidene)c...)
Show SMILES Cc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
Show InChI InChI=1S/C16H13NO2/c1-11-7-8-13(15(18)9-11)16-10-14(17-19-16)12-5-3-2-4-6-12/h2-10,18H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114956
PNG
(3-(3-fluorobenzyl)-2-(2-furyl)imidaz[2,1-a]isoquin...)
Show SMILES Fc1cccc(Cc2c(nc3c4ccccc4ccn23)-c2ccco2)c1
Show InChI InChI=1S/C22H15FN2O/c23-17-7-3-5-15(13-17)14-19-21(20-9-4-12-26-20)24-22-18-8-2-1-6-16(18)10-11-25(19)22/h1-13H,14H2
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114848
PNG
(5-bromanyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-...)
Show SMILES Cc1cccc(OCCNC(=O)c2cncc(Br)c2)c1
Show InChI InChI=1S/C15H15BrN2O2/c1-11-3-2-4-14(7-11)20-6-5-18-15(19)12-8-13(16)10-17-9-12/h2-4,7-10H,5-6H2,1H3,(H,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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114906
PNG
(MLS000772601 | N-[2-(1H-indol-3-yl)ethyl]-2-pyrazi...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cnccn1
Show InChI InChI=1S/C15H14N4O/c20-15(14-10-16-7-8-17-14)18-6-5-11-9-19-13-4-2-1-3-12(11)13/h1-4,7-10,19H,5-6H2,(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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114863
PNG
(MLS000334398 | N-[3-[4-bromo-3-(trifluoromethyl)an...)
Show SMILES FC(F)(F)c1cc(NC(=O)CCNC(=O)c2ccccc2Cl)ccc1Br
Show InChI InChI=1S/C17H13BrClF3N2O2/c18-13-6-5-10(9-12(13)17(20,21)22)24-15(25)7-8-23-16(26)11-3-1-2-4-14(11)19/h1-6,9H,7-8H2,(H,23,26)(H,24,25)
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM96684
PNG
(6-acetyl-2-(2-phenylethyl)benzo[de]isoquinoline-1,...)
Show SMILES CC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c3cccc1c23
Show InChI InChI=1S/C22H17NO3/c1-14(24)16-10-11-19-20-17(16)8-5-9-18(20)21(25)23(22(19)26)13-12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3
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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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM42059
PNG
(MLS000391275 | N-[(Z)-(3-amino-1-isoindolylidene)a...)
Show SMILES NC1=NC(=NNc2nc(cs2)-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H12FN5S/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)23-22-16-13-4-2-1-3-12(13)15(19)21-16/h1-9H,(H,20,23)(H2,19,21,22)
KEGG

UniProtKB/SwissProt

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n/an/a 6.75E+4n/an/an/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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 6.75E+4n/an/an/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)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114917
PNG
(MLS001000910 | N-(2-methyl-5-nitro-phenyl)cyclopen...)
Show SMILES Cc1ccc(cc1NC(=O)C1CCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N2O3/c1-9-6-7-11(15(17)18)8-12(9)14-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/a 6.75E+4n/an/an/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)

More data for this
Ligand-Target Pair
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