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Compile Data Set for Download or QSAR

Found 275 hits of affinity data for UniProtKB/TrEMBL: Q9Y5X4    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
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
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-(3a-hydroxy-2-keto-3,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl)valeric acid methyl ester
PNG
(5-(3a-hydroxy-2-oxo-3,4,6,6a-tetrahydro-1H-thieno[...)
Show SMILES COC(=O)CCCCC1SCC2NC(=O)NC12O
Show InChI InChI=1S/C11H18N2O4S/c1-17-9(14)5-3-2-4-8-11(16)7(6-18-8)12-10(15)13-11/h7-8,16H,2-6H2,1H3,(H2,12,13,15)
PDB

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ZINC 0

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n/an/a 139.1n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid
PNG
(6-[(4R,5S)-5-methyl-2-oxidanylidene-imidazolidin-4...)
Show SMILES C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
Show InChI InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
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ZINC 0

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n/an/a 149.12n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide
PNG
(2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...)
Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)
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n/an/a 167.27n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
[7-(4-fluorophenyl)-5-(p-tolyl)pyrido[2,3-d]pyrimidin-4-yl]amine
PNG
(7-(4-fluorophenyl)-5-(4-methylphenyl)-4-pyrido[2,3...)
Show SMILES Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(21)9-7-14)25-20-18(16)19(22)23-11-24-20/h2-11H,1H3,(H2,22,23,24,25)
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n/an/a 177.87n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
[5-phenyl-7-(p-tolyl)pyrido[2,3-d]pyrimidin-4-yl]amine
PNG
(7-(4-methylphenyl)-5-phenyl-4-pyrido[2,3-d]pyrimid...)
Show SMILES Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C20H16N4/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)18-19(21)22-12-23-20(18)24-17/h2-12H,1H3,(H2,21,22,23,24)
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n/an/a 177.89n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-methyl-4-phenyl-cyclopenta[c]quinolizine-2,3-dicarboxylic acid dimethyl ester
PNG
(5-methyl-4-phenylcyclopenta[c]quinolizine-2,3-dica...)
Show SMILES COC(=O)c1cc2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
Show InChI InChI=1S/C23H19NO4/c1-14-17-11-7-8-12-24(17)18-13-16(22(25)27-2)20(23(26)28-3)21(18)19(14)15-9-5-4-6-10-15/h4-13H,1-3H3
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n/an/a 185.5n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
[7-(4-methoxyphenyl)-5-phenyl-pyrido[2,3-d]pyrimidin-4-yl]amine
PNG
(7-(4-methoxyphenyl)-5-phenyl-4-pyrido[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C20H16N4O/c1-25-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)18-19(21)22-12-23-20(18)24-17/h2-12H,1H3,(H2,21,22,23,24)
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n/an/a 220.17n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-chloro-5-methyl-4-phenyl-cyclopenta[c]quinolizine-2,3-dicarboxylic acid dimethyl ester
PNG
(1-chloro-5-methyl-4-phenylcyclopenta[c]quinolizine...)
Show SMILES COC(=O)c1c(Cl)c2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
Show InChI InChI=1S/C23H18ClNO4/c1-13-15-11-7-8-12-25(15)21-17(16(13)14-9-5-4-6-10-14)18(22(26)28-2)19(20(21)24)23(27)29-3/h4-12H,1-3H3
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n/an/a 303.35n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenyl-6-thioxo-1H-pyridine-3-carboxamide
PNG
(4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenyl-6-sul...)
Show SMILES CCCCOc1ccc(cc1)-c1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H23N3O2S/c1-3-4-14-29-19-12-10-17(11-13-19)22-20(15-25)24(30)26-16(2)21(22)23(28)27-18-8-6-5-7-9-18/h5-13H,3-4,14H2,1-2H3,(H,26,30)(H,27,28)
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n/an/a 330.11n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-[(3aS,4R,6aS)-3a-hydroxy-2-keto-3,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl]valeric acid methyl ester
PNG
(5-(6a-Hydroxy-2-oxo-hexahydro-thieno[3,4-d]imidazo...)
Show SMILES COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@]12O
Show InChI InChI=1S/C11H18N2O4S/c1-17-9(14)5-3-2-4-8-11(16)7(6-18-8)12-10(15)13-11/h7-8,16H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,11+/m1/s1
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n/an/a 389.38n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide
PNG
(2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2...)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)c(F)c3)n2n1
Show InChI InChI=1S/C25H24FN7OS/c1-14-8-9-17(12-20(14)26)27-23(34)13-35-25-28-21-7-5-4-6-19(21)24-29-22(32-33(24)25)11-10-18-15(2)30-31-16(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,27,34)(H,30,31)
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ZINC 0
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n/an/a 473.9n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-[4-(dimethylamino)phenyl]-3-tosyl-urea
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
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n/an/a 748.25n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PNG
(2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC=C)cc1
Show InChI InChI=1S/C27H23N5OS2/c1-3-15-32-25(19-7-5-4-6-8-19)30-31-27(32)34-17-24(33)28-21-12-10-20(11-13-21)26-29-22-14-9-18(2)16-23(22)35-26/h3-14,16H,1,15,17H2,2H3,(H,28,33)
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ZINC 0
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n/an/a 774.16n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
PNG
(MLS000087912 | N-(7-methyl-2-thiazolo[4,5-g][1,3]b...)
Show SMILES Cc1nc2ccc3nc(NC(=O)c4ccc5OCCOc5c4)sc3c2s1
Show InChI InChI=1S/C18H13N3O3S2/c1-9-19-11-3-4-12-16(15(11)25-9)26-18(20-12)21-17(22)10-2-5-13-14(8-10)24-7-6-23-13/h2-5,8H,6-7H2,1H3,(H,20,21,22)
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n/an/a 812.55n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
4-methoxy-N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
PNG
(4-methoxy-N-(7-methyl-2-thiazolo[4,5-g][1,3]benzot...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc3nc(C)sc3c2s1
Show InChI InChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 861.97n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-bromo-2-methyl-4-phenyl-quinoline-3-carboxylic acid
PNG
(6-bromanyl-2-methyl-4-phenyl-quinoline-3-carboxyli...)
Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(O)=O
Show InChI InChI=1S/C17H12BrNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
PDB

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n/an/a 1001.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-[2-(N-mesyl-4-phenoxy-anilino)acetyl]isonipecotamide
PNG
(1-[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethy...)
Show SMILES CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(N)=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H25N3O5S/c1-30(27,28)24(15-20(25)23-13-11-16(12-14-23)21(22)26)17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,22,26)
PDB

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n/an/a 1055.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-(2-keto-5-methyl-imidazolidin-4-yl)-N-phenethyl-hexanamide
PNG
(6-(5-methyl-2-oxidanylidene-imidazolidin-4-yl)-N-(...)
Show SMILES CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H27N3O2/c1-14-16(21-18(23)20-14)10-6-3-7-11-17(22)19-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,19,22)(H2,20,21,23)
PDB

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n/an/a 1056.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
4-(5-methyl-2-furyl)-2-thioxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PNG
(4-(5-methyl-2-furanyl)-2-sulfanylidene-5,6,7,8-tet...)
Show SMILES Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
Show InChI InChI=1S/C15H14N2OS/c1-9-6-7-13(18-9)14-10-4-2-3-5-12(10)17-15(19)11(14)8-16/h6-7H,2-5H2,1H3,(H,17,19)
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n/an/a 1090.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-(4-fluorophenyl)-3-methyl-N-(6-methyl-2-pyridyl)imidazo[2,1-b]thiazole-2-carboxamide
PNG
(6-(4-fluorophenyl)-3-methyl-N-(6-methyl-2-pyridiny...)
Show SMILES Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C19H15FN4OS/c1-11-4-3-5-16(21-11)23-18(25)17-12(2)24-10-15(22-19(24)26-17)13-6-8-14(20)9-7-13/h3-10H,1-2H3,(H,21,23,25)
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n/an/a 1173.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
4-bromo-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
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n/an/a 1378.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6,8-dibromo-4-piperidino-quinazoline
PNG
(6,8-bis(bromanyl)-4-piperidin-1-yl-quinazoline | 6...)
Show SMILES Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1
Show InChI InChI=1S/C13H13Br2N3/c14-9-6-10-12(11(15)7-9)16-8-17-13(10)18-4-2-1-3-5-18/h6-8H,1-5H2
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n/an/a 1421.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-(2,4-dichlorophenoxy)-N-[4-(6-morpholinopyridazin-3-yl)phenyl]acetamide
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(6-morpholin-4-ylpyri...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N4O3/c23-16-3-7-20(18(24)13-16)31-14-22(29)25-17-4-1-15(2-5-17)19-6-8-21(27-26-19)28-9-11-30-12-10-28/h1-8,13H,9-12,14H2,(H,25,29)
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n/an/a 1426.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide
PNG
(3-(3,4-dimethoxyphenyl)-N-[2-[(4-fluorophenyl)meth...)
Show SMILES COc1ccc(cc1OC)-n1nc(C(=O)NCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C26H23FN4O5/c1-35-21-12-11-18(13-22(21)36-2)31-26(34)20-6-4-3-5-19(20)24(30-31)25(33)29-15-23(32)28-14-16-7-9-17(27)10-8-16/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,33)
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n/an/a 1457.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-methyl-4-phenyl-cyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl ester
PNG
(5-methyl-4-phenylcyclopenta[c]quinolizine-1,2-dica...)
Show SMILES COC(=O)c1cc2c(-c3ccccc3)c(C)c3ccccn3c2c1C(=O)OC
Show InChI InChI=1S/C23H19NO4/c1-14-18-11-7-8-12-24(18)21-16(19(14)15-9-5-4-6-10-15)13-17(22(25)27-2)20(21)23(26)28-3/h4-13H,1-3H3
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n/an/a>1476.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5,5-dimethyl-2-thioxo-1,6-dihydrobenzo[h]quinazolin-4-one
PNG
(5,5-Dimethyl-2-thioxo-2,3,5,6-tetrahydro-1H-benzo[...)
Show SMILES CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
Show InChI InChI=1S/C14H14N2OS/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(17)16-13(18)15-11/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
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n/an/a>1476.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-(8-chloro-4-keto-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-3-yl)acetic acid ethyl ester
PNG
(2-(8-chloro-4-oxo-2-sulfanylidene-1H-benzofuro[3,2...)
Show SMILES CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-20-10(18)6-17-13(19)12-11(16-14(17)22)8-5-7(15)3-4-9(8)21-12/h3-5H,2,6H2,1H3,(H,16,22)
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n/an/a 1492.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
PNG
(MLS000765462 | N-(2-pyridin-3-yl-1,3-benzoxazol-5-...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H15N3O4/c25-20(13-3-5-18-19(10-13)27-9-8-26-18)23-15-4-6-17-16(11-15)24-21(28-17)14-2-1-7-22-12-14/h1-7,10-12H,8-9H2,(H,23,25)
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n/an/a 1613.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
potassium;6-bromo-2-(3-pyridyl)cinchoninate
PNG
(MLS000727574 | SMR000306271 | cid_23679856 | potas...)
Show SMILES [O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1cccnc1
Show InChI InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20)/p-1
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n/an/a 1636.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
cid_929935
PNG
(5-Isopropyl-10-thioxo-1,2,3,4,10,11-hexahydro-9H-7...)
Show SMILES CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12
Show InChI InChI=1S/C16H17N3OS2/c1-7(2)11-9-6-4-3-5-8(9)10-12-13(22-15(10)17-11)14(20)19-16(21)18-12/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
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n/an/a 1903.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-[2-(4-methoxyphenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-methylbenzyl)isonipecotamide
PNG
(1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4...)
Show SMILES COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C28H32N6O2/c1-18-7-5-6-8-22(18)17-29-28(35)21-13-15-33(16-14-21)27-26-25(19(2)30-31-27)20(3)34(32-26)23-9-11-24(36-4)12-10-23/h5-12,21H,13-17H2,1-4H3,(H,29,35)
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n/an/a 2011.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-(4,6-dimethyl-2-pyridyl)-3-(3-methoxyphenyl)thiourea
PNG
(1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)th...)
Show SMILES COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1
Show InChI InChI=1S/C15H17N3OS/c1-10-7-11(2)16-14(8-10)18-15(20)17-12-5-4-6-13(9-12)19-3/h4-9H,1-3H3,(H2,16,17,18,20)
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n/an/a 2039.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
3-(4-fluorophenyl)-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one
PNG
(3-(4-fluorophenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Fc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C16H9FN2O2S/c17-9-5-7-10(8-6-9)19-15(20)14-13(18-16(19)22)11-3-1-2-4-12(11)21-14/h1-8H,(H,18,22)
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n/an/a 2092.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-(4-methoxyphenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide
PNG
(MLS000048934 | N-(4-methoxyphenyl)-2-[(4-phenyl-5-...)
Show SMILES COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N4O2S2/c1-27-17-11-9-15(10-12-17)22-19(26)14-29-21-24-23-20(18-8-5-13-28-18)25(21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,26)
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n/an/a 2093.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-(2-ketochromen-6-yl)-3-methoxy-2-naphthamide
PNG
(3-Methoxy-naphthalene-2-carboxylic acid (2-oxo-2H-...)
Show SMILES COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C21H15NO4/c1-25-19-12-14-5-3-2-4-13(14)11-17(19)21(24)22-16-7-8-18-15(10-16)6-9-20(23)26-18/h2-12H,1H3,(H,22,24)
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n/an/a 2280.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
3-(4-methoxyphenyl)-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one
PNG
(3-(4-methoxyphenyl)-2-sulfanylidene-1H-[1]benzofur...)
Show SMILES COc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O3S/c1-21-11-8-6-10(7-9-11)19-16(20)15-14(18-17(19)23)12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H,18,23)
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n/an/a 2320.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
3-(2-ketochromen-3-yl)-N-(2-methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)benzamide
PNG
(MLS000581554 | N-(2-methyl-3-[1,3]oxazolo[4,5-b]py...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)cccc1-c1nc2ncccc2o1
Show InChI InChI=1S/C29H19N3O4/c1-17-21(28-32-26-25(35-28)13-6-14-30-26)10-5-11-23(17)31-27(33)20-9-4-8-18(15-20)22-16-19-7-2-3-12-24(19)36-29(22)34/h2-16H,1H3,(H,31,33)
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n/an/a 2331.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-2-(2-keto-4-methyl-chromen-7-yl)oxy-acetamide
PNG
(MLS000579861 | N-[5-(diethylsulfamoyl)-2-methoxy-p...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
Show InChI InChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)
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n/an/a 2351.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]-2-furamide
PNG
(MLS000102877 | N-[4-(1,3-benzothiazol-2-yl)-1,3-th...)
Show SMILES O=C(Nc1nc(cs1)-c1nc2ccccc2s1)c1ccco1
Show InChI InChI=1S/C15H9N3O2S2/c19-13(11-5-3-7-20-11)18-15-17-10(8-21-15)14-16-9-4-1-2-6-12(9)22-14/h1-8H,(H,17,18,19)
PDB

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n/an/a 2438.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-(5-keto-2,4-dimethyl-thieno[3,4]pyrrolo[1,3-d]pyridazin-6-yl)-N-phenethyl-acetamide
PNG
(2-(2,4-Dimethyl-5-oxo-4,5-dihydro-thieno[2',3&...)
Show SMILES Cc1cc2n(C)c3c(cnn(CC(=O)NCCc4ccccc4)c3=O)c2s1
Show InChI InChI=1S/C20H20N4O2S/c1-13-10-16-19(27-13)15-11-22-24(20(26)18(15)23(16)2)12-17(25)21-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)
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n/an/a 2520.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide
PNG
(2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...)
Show SMILES Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C19H15FN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)
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n/an/a 2605.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
1-piperidino-2-[[6-(2-thienyl)pyridazin-3-yl]thio]ethanone
PNG
(1-(1-piperidinyl)-2-[(6-thiophen-2-yl-3-pyridaziny...)
Show SMILES O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCC1
Show InChI InChI=1S/C15H17N3OS2/c19-15(18-8-2-1-3-9-18)11-21-14-7-6-12(16-17-14)13-5-4-10-20-13/h4-7,10H,1-3,8-9,11H2
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n/an/a 2636.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
(4-fluorobenzyl)-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amine
PNG
(MLS000522409 | N-[(4-fluorophenyl)methyl]-[1,2,4]t...)
Show SMILES Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
Show InChI InChI=1S/C16H12FN5/c17-12-7-5-11(6-8-12)9-18-15-16-21-19-10-22(16)14-4-2-1-3-13(14)20-15/h1-8,10H,9H2,(H,18,20)
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n/an/a 2695.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PNG
(5-chloranyl-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
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n/an/a 2861.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-piperonylamide
PNG
(MLS000050497 | N-[4-(5-methyl-1,3-benzoxazol-2-yl)...)
Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H16N2O4/c1-13-2-8-18-17(10-13)24-22(28-18)14-3-6-16(7-4-14)23-21(25)15-5-9-19-20(11-15)27-12-26-19/h2-11H,12H2,1H3,(H,23,25)
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n/an/a 2875.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-(p-tolyl)cinchoninamide
PNG
(6-bromanyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-...)
Show SMILES Cc1ccc(cc1)-c1cc(C(=O)NCc2cnn(C)c2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C22H19BrN4O/c1-14-3-5-16(6-4-14)21-10-19(18-9-17(23)7-8-20(18)26-21)22(28)24-11-15-12-25-27(2)13-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)
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n/an/a 2992.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
3-phenyl-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one
PNG
(3-phenyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyr...)
Show SMILES O=c1n(-c2ccccc2)c(=S)[nH]c2c3ccccc3oc12
Show InChI InChI=1S/C16H10N2O2S/c19-15-14-13(11-8-4-5-9-12(11)20-14)17-16(21)18(15)10-6-2-1-3-7-10/h1-9H,(H,17,21)
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n/an/a 3055.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5,10-dihydrothiazolo[4,5-b][1,5]benzodiazepin-2-one
PNG
(5,10-dihydro-[1,3]thiazolo[4,5-b][1,5]benzodiazepi...)
Show SMILES O=c1[nH]c2Nc3ccccc3N=Cc2s1
Show InChI InChI=1S/C10H7N3OS/c14-10-13-9-8(15-10)5-11-6-3-1-2-4-7(6)12-9/h1-5,12H,(H,13,14)
PDB

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n/an/a 3136.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
6-chloro-N-(3-thiazolo[5,4-b]pyridin-2-ylphenyl)nicotinamide
PNG
(6-chloranyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl...)
Show SMILES Clc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc2cccnc2s1
Show InChI InChI=1S/C18H11ClN4OS/c19-15-7-6-12(10-21-15)16(24)22-13-4-1-3-11(9-13)17-23-14-5-2-8-20-18(14)25-17/h1-10H,(H,22,24)
PDB

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n/an/a 3372.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-furamide
PNG
(5-bromanyl-N-[4-(6-methoxypyridazin-3-yl)phenyl]fu...)
Show SMILES COc1ccc(nn1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Show InChI InChI=1S/C16H12BrN3O3/c1-22-15-9-6-12(19-20-15)10-2-4-11(5-3-10)18-16(21)13-7-8-14(17)23-13/h2-9H,1H3,(H,18,21)
PDB

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n/an/a 3383.0n/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
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