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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'   
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
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114823
PNG
(2-phenyl-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]pyra...)
Show SMILES C1C2COc3ccccc3C2=NN1c1ccccc1
Show InChI InChI=1S/C16H14N2O/c1-2-6-13(7-3-1)18-10-12-11-19-15-9-5-4-8-14(15)16(12)17-18/h1-9,12H,10-11H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114819
PNG
(2-(1-Indanylidene)-1-indanone | 2-(2,3-dihydroinde...)
Show SMILES O=C1C(Cc2ccccc12)=C1CCc2ccccc12
Show InChI InChI=1S/C18H14O/c19-18-15-8-4-2-6-13(15)11-17(18)16-10-9-12-5-1-3-7-14(12)16/h1-8H,9-11H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114761
PNG
(MLS001033258 | N-(1,3-benzothiazol-2-yl)benzamide ...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C14H10N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-9H,(H,15,16,17)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114770
PNG
(2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Show InChI InChI=1S/C16H15N3O/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114782
PNG
(1-(3,5-diphenyl-1-pyrazolyl)ethanone | 1-(3,5-diph...)
Show SMILES CC(=O)n1nc(cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-12H,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114781
PNG
(1H-indole-2,3-dione 3-[(2-methylphenyl)hydrazone] ...)
Show SMILES Cc1ccccc1NNC1=c2ccccc2=NC1=O
Show InChI InChI=1S/C15H13N3O/c1-10-6-2-4-8-12(10)17-18-14-11-7-3-5-9-13(11)16-15(14)19/h2-9,17H,1H3,(H,16,18,19)
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
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)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114549
PNG
(2-allyl-3-[[(Z)-(2-keto-1-naphthylidene)methyl]ami...)
Show SMILES NC(SCC=C)=NN=Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C15H15N3OS/c1-2-9-20-15(16)18-17-10-13-12-6-4-3-5-11(12)7-8-14(13)19/h2-8,10,19H,1,9H2,(H2,16,18)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114789
PNG
(3-(1H-Benzoimidazol-2-yl)-chromen-2-one | 3-(1H-be...)
Show SMILES O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H10N2O2/c19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15/h1-9H,(H,17,18)
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49954
PNG
(4-methoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)b...)
Show SMILES COc1ccc(cc1)C(=O)\N=c1/sc2ccccc2n1C
Show InChI InChI=1S/C16H14N2O2S/c1-18-13-5-3-4-6-14(13)21-16(18)17-15(19)11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b17-16-
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114740
PNG
(2-methyl-N-[(Z)-(1-methyl-2-oxidanylidene-indol-3-...)
Show SMILES CN1C(=O)\C(=N/NC(=O)c2ccoc2C)c2ccccc12
Show InChI InChI=1S/C15H13N3O3/c1-9-10(7-8-21-9)14(19)17-16-13-11-5-3-4-6-12(11)18(2)15(13)20/h3-8H,1-2H3,(H,17,19)/b16-13-
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114792
PNG
((5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-am...)
Show SMILES Cc1ccc(Nc2nc(cs2)-c2ccccc2)nc1
Show InChI InChI=1S/C15H13N3S/c1-11-7-8-14(16-9-11)18-15-17-13(10-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114743
PNG
((4Z)-4-[(3,4-dimethylphenyl)hydrazinylidene]-3-met...)
Show SMILES Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C13H15N5OS/c1-7-4-5-10(6-8(7)2)15-16-11-9(3)17-18(12(11)19)13(14)20/h4-6,17H,1-3H3,(H2,14,20)
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM76599
PNG
((1,3-benzothiazol-2-ylmethyleneamino)-phenyl-amine...)
Show SMILES C(N=Nc1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)17-15-10-14-16-12-8-4-5-9-13(12)18-14/h1-9H,10H2
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114810
PNG
((6Z)-6-[5-[2-(2-methylpiperidin-1-yl)-2-oxidanylid...)
Show SMILES CC1CCCCN1C(=O)CSc1nnc(o1)-c1ccccc1O
Show InChI InChI=1S/C16H19N3O3S/c1-11-6-4-5-9-19(11)14(21)10-23-16-18-17-15(22-16)12-7-2-3-8-13(12)20/h2-3,7-8,11,20H,4-6,9-10H2,1H3
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BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM62936
PNG
(4,6-dimethyl-2-(5-methyl-1H-benzimidazol-2-yl)thie...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)cc(C)c2c1N
Show InChI InChI=1S/C17H16N4S/c1-8-4-5-11-12(6-8)21-16(20-11)15-14(18)13-9(2)7-10(3)19-17(13)22-15/h4-7H,18H2,1-3H3,(H,20,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114784
PNG
((6Z)-6-[3-(4-fluorophenyl)-2H-1,2-oxazol-5-ylidene...)
Show SMILES Cc1ccc(O)c(c1)-c1cc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO2/c1-10-2-7-15(19)13(8-10)16-9-14(18-20-16)11-3-5-12(17)6-4-11/h2-9,19H,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114756
PNG
(2-(5-chlorothiophene-2-carbonyl)imino-3,4-dimethyl...)
Show SMILES CCOC(=O)c1s\c(=N/C(=O)c2ccc(Cl)s2)n(C)c1C
Show InChI InChI=1S/C13H13ClN2O3S2/c1-4-19-12(18)10-7(2)16(3)13(21-10)15-11(17)8-5-6-9(14)20-8/h5-6H,4H2,1-3H3/b15-13-
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114733
PNG
(4-(2,4-Dimethyl-phenylazo)-3-methyl-5-oxo-4,5-dihy...)
Show SMILES Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C
Show InChI InChI=1S/C13H15N5OS/c1-7-4-5-10(8(2)6-7)15-16-11-9(3)17-18(12(11)19)13(14)20/h4-6,17H,1-3H3,(H2,14,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49587
PNG
((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...)
Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM51101
PNG
((benzalamino)-benzo[cd]indol-2-yl-amine | MLS00039...)
Show SMILES N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C18H13N3/c1-2-6-13(7-3-1)12-19-21-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-12H,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114771
PNG
(5,6,8,9,10,11-Hexahydro-12-thia-13-aza-indeno[1,2-...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2sc3CCCCc3c12
Show InChI InChI=1S/C19H18N2S/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-2,5-6H,3-4,7-10H2,(H2,20,21)
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM75652
PNG
(2-(4-Fluoro-benzoylamino)-5,6-dihydro-4H-cyclopent...)
Show SMILES NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12
Show InChI InChI=1S/C15H13FN2O2S/c16-9-6-4-8(5-7-9)14(20)18-15-12(13(17)19)10-2-1-3-11(10)21-15/h4-7H,1-3H2,(H2,17,19)(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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM95887
PNG
(2-(1-naphthyl)-5-(p-tolyl)-1,3,4-oxadiazole | 2-(4...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114725
PNG
(1H-indene-1,2,3-trione 2-[(2-chlorophenyl)hydrazon...)
Show SMILES Clc1ccccc1NN=c1c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C15H9ClN2O2/c16-11-7-3-4-8-12(11)17-18-13-14(19)9-5-1-2-6-10(9)15(13)20/h1-8,17H
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM72741
PNG
(2-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole |...)
Show SMILES C1C2CCc3ccccc3C2=NN1c1ccccc1
Show InChI InChI=1S/C17H16N2/c1-2-7-15(8-3-1)19-12-14-11-10-13-6-4-5-9-16(13)17(14)18-19/h1-9,14H,10-12H2
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114794
PNG
((4E)-4-[(4-bromophenyl)hydrazono]-5-keto-3-methyl-...)
Show SMILES Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrN5OS/c1-6-9(10(18)17(16-6)11(13)19)15-14-8-4-2-7(12)3-5-8/h2-5,16H,1H3,(H2,13,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM76651
PNG
(2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophe...)
Show SMILES NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
Show InChI InChI=1S/C15H14N2O2S/c16-13(18)12-10-7-4-8-11(10)20-15(12)17-14(19)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18)(H,17,19)
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114773
PNG
(2,5-bis(2-pyridinyl)-1,3,4-thiadiazole | 2,5-bis(2...)
Show SMILES c1ccc(nc1)-c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114809
PNG
(MLS001216883 | SMR000612814 | [5-(2-Chloro-phenyl)...)
Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H13ClN2O2/c15-11-6-2-1-5-10(11)13-9-12(16-19-13)14(18)17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8H2
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM76753
PNG
(3-phenyl-5-(p-tolyl)isoxazole | 5-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C16H13NO/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114721
PNG
(2-(4-chlorophenyl)-1(2H)-phthalazinone | 2-(4-chlo...)
Show SMILES Clc1ccc(cc1)-n1ncc2ccccc2c1=O
Show InChI InChI=1S/C14H9ClN2O/c15-11-5-7-12(8-6-11)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114719
PNG
(4-amino-6-methyl-2-phenyl-5-pyrimidinecarboxylic a...)
Show SMILES CCOC(=O)c1c(C)nc(nc1N)-c1ccccc1
Show InChI InChI=1S/C14H15N3O2/c1-3-19-14(18)11-9(2)16-13(17-12(11)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114722
PNG
(2-[(4-methylbenzyl)thio]-3H-imidazo[4,5-c]pyridine...)
Show SMILES Cc1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C14H13N3S/c1-10-2-4-11(5-3-10)9-18-14-16-12-6-7-15-8-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114757
PNG
(2-(4-chlorophenyl)-4-methyl-1(2H)-phthalazinone | ...)
Show SMILES Cc1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(16)7-9-12/h2-9H,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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49622
PNG
(2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylamino)...)
Show SMILES NC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
Show InChI InChI=1S/C16H16N2O2S/c17-14(19)13-7-8-21-16(13)18-15(20)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H2,17,19)(H,18,20)
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
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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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114802
PNG
(MLS001200210 | N-(3-methoxyphenyl)-4-methyl-1-inda...)
Show SMILES COc1cccc(NC(=O)n2ncc3c(C)cccc23)c1
Show InChI InChI=1S/C16H15N3O2/c1-11-5-3-8-15-14(11)10-17-19(15)16(20)18-12-6-4-7-13(9-12)21-2/h3-10H,1-2H3,(H,18,20)
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM96064
PNG
(1,3-benzothiazol-2-yl-[(E)-1-(2-thienyl)ethylidene...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccs1
Show InChI InChI=1S/C13H11N3S2/c1-9(11-7-4-8-17-11)15-16-13-14-10-5-2-3-6-12(10)18-13/h2-9H,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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
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