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PubChem AID 743038

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
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49198
PNG
(2-thienyl-[5-(2-thienyl)-2-thienyl]methanone | MLS...)
Show SMILES O=C(c1cccs1)c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H8OS3/c14-13(11-4-2-8-16-11)12-6-5-10(17-12)9-3-1-7-15-9/h1-8H
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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)
BDBM49255
PNG
(2-(4-fluorophenyl)-5H-[1,2,4]triazol[5,1-a]isoindo...)
Show SMILES Fc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Show InChI InChI=1S/C15H10FN3/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 (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)
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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Curated by PubChem BioAssay


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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)
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
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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)
BDBM37142
PNG
(5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccccc1-c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C16H14N2O2/c1-11-6-5-7-12(10-11)15-17-16(20-18-15)13-8-3-4-9-14(13)19-2/h3-10H,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)
BDBM50293103
PNG
(5-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(n1)-c1ccccc1F
Show InChI InChI=1S/C15H11FN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,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)
BDBM49346
PNG
(5-(2-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiaz...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1ccccc1Br
Show InChI InChI=1S/C15H11BrN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
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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)
BDBM51686
PNG
(1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol | 1-[...)
Show SMILES Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20-10-9-14-5-1-3-7-17(14)18(20)13-21-16-11-15-6-2-4-8-19(15)22-12-16/h1-12,21,23H,13H2
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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)
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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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)
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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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)
BDBM48278
PNG
(3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-met...)
Show SMILES Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C19H19ClN6/c1-14-11-18(22-7-2-9-25-10-8-21-13-25)26-19(24-14)17(12-23-26)15-3-5-16(20)6-4-15/h3-6,8,10-13,22H,2,7,9H2,1H3
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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)
BDBM114735
PNG
(4,6-dimethyl-2-[(6-methyl-1H-benzimidazol-2-yl)met...)
Show SMILES Cc1ccc2nc(CSc3nc(C)cc(C)c3C#N)[nH]c2c1
Show InChI InChI=1S/C17H16N4S/c1-10-4-5-14-15(6-10)21-16(20-14)9-22-17-13(8-18)11(2)7-12(3)19-17/h4-7H,9H2,1-3H3,(H,20,21)
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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)
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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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)
BDBM49636
PNG
((E)-1-(2,3-dihydroindol-1-yl)-3-thiophen-2-yl-2-pr...)
Show SMILES O=C(\C=C\c1cccs1)N1CCc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15(8-7-13-5-3-11-18-13)16-10-9-12-4-1-2-6-14(12)16/h1-8,11H,9-10H2/b8-7+
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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)
BDBM43425
PNG
(MLS000392773 | N-[(2-chlorophenyl)methylideneamino...)
Show SMILES Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C18H12ClN3/c19-15-9-2-1-5-13(15)11-20-22-18-14-8-3-6-12-7-4-10-16(21-18)17(12)14/h1-11H,(H,21,22)
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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)
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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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)
BDBM76519
PNG
((6E)-6-[(2E)-2-[(5Z)-5-(6-ketocyclohexa-2,4-dien-1...)
Show SMILES Oc1ccccc1C=Cc1noc(n1)-c1ccccc1O
Show InChI InChI=1S/C16H12N2O3/c19-13-7-3-1-5-11(13)9-10-15-17-16(21-18-15)12-6-2-4-8-14(12)20/h1-10,19-20H
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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)
BDBM49799
PNG
((E)-3-(4-fluoro-3-methyl-anilino)-1-(2-thienyl)pro...)
Show SMILES Cc1cc(ccc1F)N=CCC(=O)c1cccs1
Show InChI InChI=1S/C14H12FNOS/c1-10-9-11(4-5-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,7-9H,6H2,1H3
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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)
BDBM114752
PNG
(1-(2,1,3-benzothiadiazol-4-yl)-3-phenyl-urea | 1-(...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc2nsnc12
Show InChI InChI=1S/C13H10N4OS/c18-13(14-9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)17-19-16-11/h1-8H,(H2,14,15,18)
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The Scripps Research Institute Molecular Screening Center

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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)
BDBM114753
PNG
((2-p-cumenylbenzotriazol-5-yl)amine | 2-(4-propan-...)
Show SMILES CC(C)c1ccc(cc1)-n1nc2ccc(N)cc2n1
Show InChI InChI=1S/C15H16N4/c1-10(2)11-3-6-13(7-4-11)19-17-14-8-5-12(16)9-15(14)18-19/h3-10H,16H2,1-2H3
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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)
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

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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)
BDBM95967
PNG
((E)-1-(4-Methoxy-phenyl)-3-(4-methyl-pyridin-2-yla...)
Show SMILES COc1ccc(cc1)C(=O)CC=Nc1cc(C)ccn1
Show InChI InChI=1S/C16H16N2O2/c1-12-7-9-17-16(11-12)18-10-8-15(19)13-3-5-14(20-2)6-4-13/h3-7,9-11H,8H2,1-2H3
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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)
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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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)
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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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)
BDBM50185089
PNG
(2-benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-...)
Show SMILES NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C16H16N2O2S/c17-14(19)13-11-8-4-5-9-12(11)21-16(13)18-15(20)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(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)
BDBM76693
PNG
(3-(5-bromanylfuran-2-yl)-5-(2-methylphenyl)-1,2,4-...)
Show SMILES Cc1ccccc1-c1nc(no1)-c1ccc(Br)o1
Show InChI InChI=1S/C13H9BrN2O2/c1-8-4-2-3-5-9(8)13-15-12(16-18-13)10-6-7-11(14)17-10/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (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)
BDBM114813
PNG
(5-methoxy-3-methyl-N-(2-pyridinyl)-2-benzofurancar...)
Show SMILES COc1ccc2oc(C(=O)Nc3ccccn3)c(C)c2c1
Show InChI InChI=1S/C16H14N2O3/c1-10-12-9-11(20-2)6-7-13(12)21-15(10)16(19)18-14-5-3-4-8-17-14/h3-9H,1-2H3,(H,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)
BDBM25867
PNG
(3-[6-(3-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]pheno...)
Show SMILES Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-3-9(7-11)13-15-17-14(18-16-13)10-4-2-6-12(20)8-10/h1-8,19-20H
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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)
BDBM114824
PNG
((2-chlorophenyl)-(2-pyridylmethyleneamino)amine | ...)
Show SMILES Clc1ccccc1N=NCc1ccccn1
Show InChI InChI=1S/C12H10ClN3/c13-11-6-1-2-7-12(11)16-15-9-10-5-3-4-8-14-10/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 (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)
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 (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)
BDBM49185
PNG
(1-(3-Fluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-urea...)
Show SMILES Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C13H12FN3O/c1-9-5-6-15-12(7-9)17-13(18)16-11-4-2-3-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)
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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 (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)
BDBM114717
PNG
(4-hydroxy-2,6-diphenyl-1,4-oxaphosphinine 4-oxide ...)
Show SMILES OP1(=O)C=C(OC(=C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (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)
BDBM49259
PNG
(5-(3-methoxyphenyl)-3-phenyl-1,2,4-oxadiazole | ML...)
Show SMILES COc1cccc(c1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-16-14(17-19-15)11-6-3-2-4-7-11/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 (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)
BDBM39018
PNG
(2-(1,3-benzoxazol-2-yl)quinoline | 2-(2-quinolinyl...)
Show SMILES c1ccc2oc(nc2c1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C16H10N2O/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/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 (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)
BDBM49298
PNG
(5-(2-fluorophenyl)-3-phenyl-1,2,4-oxadiazole | MLS...)
Show SMILES Fc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C14H9FN2O/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/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)
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (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)
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 (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)
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 (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)
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 (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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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)
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

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)
BDBM49484
PNG
((4-methoxyphenyl)-(4-phenylthiazol-2-yl)amine | ML...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H14N2OS/c1-19-14-9-7-13(8-10-14)17-16-18-15(11-20-16)12-5-3-2-4-6-12/h2-11H,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 (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)
BDBM87901
PNG
(2,4-dimethoxybenzenecarbothioamide | 2,4-dimethoxy...)
Show SMILES COc1ccc(C(N)=S)c(OC)c1
Show InChI InChI=1S/C9H11NO2S/c1-11-6-3-4-7(9(10)13)8(5-6)12-2/h3-5H,1-2H3,(H2,10,13)
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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 (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)
BDBM49519
PNG
(2-(2-methylsulfanylphenyl)-5-phenyl-1,3,4-oxadiazo...)
Show SMILES CSc1ccccc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c1-19-13-10-6-5-9-12(13)15-17-16-14(18-15)11-7-3-2-4-8-11/h2-10H,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)
BDBM76317
PNG
(2-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-5-(methy...)
Show SMILES CSc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
Show InChI InChI=1S/C15H12N2OS2/c1-19-15-17-16-14(18-15)12-8-10-7-6-9-4-2-3-5-11(9)13(10)20-12/h2-5,8H,6-7H2,1H3
KEGG

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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)
BDBM49531
PNG
((6E)-6-[3-(2-methylphenyl)-2H-1,2-oxazol-5-ylidene...)
Show SMILES Cc1ccccc1-c1cc(on1)-c1ccccc1O
Show InChI InChI=1S/C16H13NO2/c1-11-6-2-3-7-12(11)14-10-16(19-17-14)13-8-4-5-9-15(13)18/h2-10,18H,1H3
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (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)
BDBM93778
PNG
((2Z)-2-[(3-chloro-4-methyl-anilino)methylene]-4,4,...)
Show SMILES Cc1ccc(cc1Cl)N=CC(C(=O)c1ccco1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3NO3/c1-9-4-5-10(7-12(9)17)21-8-11(15(23)16(18,19)20)14(22)13-3-2-6-24-13/h2-8,11H,1H3
KEGG

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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)
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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UniChem
PCBioAssay
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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* indicates data uncertainty>20%