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PubChem AID 675

Compile data set for download or QSAR
Found 107 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
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39419
PNG
(2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulf...)
Show SMILES CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1
Show InChI InChI=1S/C14H13N3O2S2/c1-2-17-13(11-5-3-7-19-11)15-16-14(17)21-9-10(18)12-6-4-8-20-12/h3-8H,2,9H2,1H3
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n/an/an/an/a 5.82E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39420
PNG
(4-Hydroxy-8-methoxy-quinoline-3-carboxylic acid (t...)
Show SMILES COc1cccc2c(O)c(cnc12)C(=O)NCc1cccs1
Show InChI InChI=1S/C16H14N2O3S/c1-21-13-6-2-5-11-14(13)17-9-12(15(11)19)16(20)18-8-10-4-3-7-22-10/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)
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n/an/an/an/a 3.12E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39433
PNG
(3-amino-5-methyl-1H-indole-2-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1[nH]c2ccc(C)cc2c1N
Show InChI InChI=1S/C12H14N2O2/c1-3-16-12(15)11-10(13)8-6-7(2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
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n/an/an/an/a 731n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39445
PNG
(2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]t...)
Show SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H14N2O4S/c1-2-21-16(20)9-24-17-12(8-18)3-5-13(19-17)11-4-6-14-15(7-11)23-10-22-14/h3-7H,2,9-10H2,1H3
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n/an/an/an/a 5.65E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39463
PNG
(3-(2-thienyl)-1H-quinoxalin-2-one | 3-thiophen-2-y...)
Show SMILES O=c1[nH]c2ccccc2nc1-c1cccs1
Show InChI InChI=1S/C12H8N2OS/c15-12-11(10-6-3-7-16-10)13-8-4-1-2-5-9(8)14-12/h1-7H,(H,14,15)
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n/an/an/an/a 3.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39473
PNG
(MLS000087855 | N,N-dimethyl-N'-{1-[5-(trifluor...)
Show SMILES CN(C)C=Nc1ncnc2n(ncc12)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N7/c1-23(2)8-21-12-10-6-22-24(13(10)20-7-19-12)11-4-3-9(5-18-11)14(15,16)17/h3-8H,1-2H3
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM37726
PNG
(1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-me...)
Show SMILES COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-7-12(8(2)18)21-13(15-7)17-14-16-10-5-4-9(19-3)6-11(10)20-14/h4-6H,1-3H3,(H,15,16,17)
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM32096
PNG
((6-phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothia...)
Show SMILES Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
Show InChI InChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
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n/an/an/an/a 551n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39481
PNG
(2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(1,3...)
Show SMILES Cc1cccc(c1)-n1ccnc1SCC(=O)Nc1nccs1
Show InChI InChI=1S/C15H14N4OS2/c1-11-3-2-4-12(9-11)19-7-5-17-15(19)22-10-13(20)18-14-16-6-8-21-14/h2-9H,10H2,1H3,(H,16,18,20)
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n/an/an/an/a>1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39495
PNG
(MLS000062478 | N-[4-(4-morpholinylmethyl)phenyl]-1...)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H20N2O3/c23-20(19-13-16-3-1-2-4-18(16)25-19)21-17-7-5-15(6-8-17)14-22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)
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n/an/an/an/a 480n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39498
PNG
(5-bromanyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phe...)
Show SMILES Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H12BrN3O3/c20-16-10-9-15(25-16)17(24)21-14-8-4-7-13(11-14)19-23-22-18(26-19)12-5-2-1-3-6-12/h1-11H,(H,21,24)
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n/an/an/an/a 8.56E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39504
PNG
(MLS000119093 | N-(2,5-diethoxyphenyl)-1-(8-quinoli...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C24H27N3O5S/c1-3-31-18-12-13-21(32-4-2)19(16-18)26-24(28)20-10-7-15-27(20)33(29,30)22-11-5-8-17-9-6-14-25-23(17)22/h5-6,8-9,11-14,16,20H,3-4,7,10,15H2,1-2H3,(H,26,28)
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n/an/an/an/a 2.16E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39507
PNG
(MLS000118777 | N-(3-acetylphenyl)-3-pyrazolo[1,5-a...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)12-5-4-6-13(9-12)18-16(21)14-10-17-19-8-3-2-7-15(14)19/h2-10H,1H3,(H,18,21)
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n/an/an/an/a 1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39509
PNG
(5-bromanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)...)
Show SMILES COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12
Show InChI InChI=1S/C14H11BrN2O3S2/c1-19-7-3-4-8(20-2)12-11(7)16-14(22-12)17-13(18)9-5-6-10(15)21-9/h3-6H,1-2H3,(H,16,17,18)
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM37244
PNG
(2-[(1H-indazol-5-ylamino)methylene]-5,5-dimethyl-c...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1
Show InChI InChI=1S/C16H17N3O2/c1-16(2)6-14(20)12(15(21)7-16)9-17-11-3-4-13-10(5-11)8-18-19-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19)
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n/an/an/an/a 9.88E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39423
PNG
(Furan-2-carboxylic acid {5-[(thiophene-2-carbonyl)...)
Show SMILES O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1
Show InChI InChI=1S/C15H11N3O3S/c19-14(11-3-1-7-21-11)18-13-6-5-10(9-16-13)17-15(20)12-4-2-8-22-12/h1-9H,(H,17,20)(H,16,18,19)
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n/an/an/an/a 2.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39432
PNG
(1-Allyl-5-phenyl-1,3-dihydro-imidazole-2-thione | ...)
Show SMILES C=CCn1c(c[nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C12H12N2S/c1-2-8-14-11(9-13-12(14)15)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,13,15)
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n/an/an/an/a 1.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM37372
PNG
(3-Amino-6-methoxy-thieno[2,3-b]quinoline-2-carboxy...)
Show SMILES COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1
Show InChI InChI=1S/C18H15N3O2S2/c1-23-11-4-5-14-10(7-11)8-13-15(19)16(25-18(13)21-14)17(22)20-9-12-3-2-6-24-12/h2-8H,9,19H2,1H3,(H,20,22)
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n/an/an/an/a>407n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39435
PNG
(2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetic...)
Show SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-21-15-12(9-16)3-4-13(18-15)11-5-7-17-8-6-11/h3-8H,2,10H2,1H3
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n/an/an/an/a 1.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39450
PNG
((4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(5-meth...)
Show SMILES CN(C)CCN1C(C(C(=O)c2cnn(c2C)-c2ccccc2)C(=O)C1=O)c1ccc(C)o1
Show InChI InChI=1S/C24H26N4O4/c1-15-10-11-19(32-15)21-20(23(30)24(31)27(21)13-12-26(3)4)22(29)18-14-25-28(16(18)2)17-8-6-5-7-9-17/h5-11,14,20-21H,12-13H2,1-4H3
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n/an/an/an/a 4.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39467
PNG
(2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydr...)
Show SMILES Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1
Show InChI InChI=1S/C17H17NO4/c1-11-9-14(12(2)22-11)17(20)21-10-16(19)18-8-7-13-5-3-4-6-15(13)18/h3-6,9H,7-8,10H2,1-2H3
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n/an/an/an/a 897n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39469
PNG
(5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulf...)
Show SMILES C(Sc1nnc2ccccn12)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12N4OS/c1-2-6-12(7-3-1)13-10-17-15(21-13)11-22-16-19-18-14-8-4-5-9-20(14)16/h1-10H,11H2
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39475
PNG
(5-amino-N-(2-furanylmethyl)-1-phenyl-4-triazolecar...)
Show SMILES Nc1c(nnn1-c1ccccc1)C(=O)NCc1ccco1
Show InChI InChI=1S/C14H13N5O2/c15-13-12(14(20)16-9-11-7-4-8-21-11)17-18-19(13)10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,20)
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n/an/an/an/a>3.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39487
PNG
(2-[(3-cyano-1-pyrindan-2-yl)thio]-N-(5-ethyl-1,3,4...)
Show SMILES CCc1nnc(NC(=O)CSc2nc3CCCc3cc2C#N)s1
Show InChI InChI=1S/C15H15N5OS2/c1-2-13-19-20-15(23-13)18-12(21)8-22-14-10(7-16)6-9-4-3-5-11(9)17-14/h6H,2-5,8H2,1H3,(H,18,20,21)
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n/an/an/an/a>407n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39488
PNG
(1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea | 1-c...)
Show SMILES COc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C15H22N2O2/c1-19-14-9-7-12(8-10-14)11-16-15(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39496
PNG
(MLS000048173 | N-(1,3-benzodioxol-5-yl)-5-(2,3-dih...)
Show SMILES O=C(Nc1ccc2OCOc2c1)c1ccc(COc2ccc3CCCc3c2)o1
Show InChI InChI=1S/C22H19NO5/c24-22(23-16-5-8-19-21(11-16)27-13-26-19)20-9-7-18(28-20)12-25-17-6-4-14-2-1-3-15(14)10-17/h4-11H,1-3,12-13H2,(H,23,24)
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n/an/an/an/a 446n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39422
PNG
(MLS000072726 | N-(2,5-Diethoxy-phenyl)-2-(7-isopro...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C(C)C)c1
Show InChI InChI=1S/C22H29N5O5S/c1-7-31-14-9-10-16(32-8-2)15(11-14)23-17(28)12-33-21-24-19-18(27(21)13(3)4)20(29)26(6)22(30)25(19)5/h9-11,13H,7-8,12H2,1-6H3,(H,23,28)
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n/an/an/an/a 736n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39425
PNG
(6-(4-Diethylamino-phenyl)-1,3-dimethyl-1,6-dihydro...)
Show SMILES CCN(CC)c1ccc(cc1)-n1cc2n(C)c(=O)n(C)c(=O)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-5-21(6-2)13-7-9-14(10-8-13)22-11-15-16(12-22)19(3)18(24)20(4)17(15)23/h7-12H,5-6H2,1-4H3
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n/an/an/an/a 1.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39434
PNG
(5-methoxy-1H-indole-2-carboxylic acid ethyl ester ...)
Show SMILES CCOC(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3
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n/an/an/an/a 1.57E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39438
PNG
(2-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methylthio]...)
Show SMILES Cc1csc2nc(CSc3nc4ccccc4o3)cn12
Show InChI InChI=1S/C14H11N3OS2/c1-9-7-19-13-15-10(6-17(9)13)8-20-14-16-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3
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n/an/an/an/a 3.92E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39443
PNG
(3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
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n/an/an/an/a 786n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39444
PNG
((E)-1-(3,4-dimethoxyphenyl)-3-[(6-methyl-2-pyridin...)
Show SMILES COc1ccc(cc1OC)C(=O)CC=Nc1cccc(C)n1
Show InChI InChI=1S/C17H18N2O3/c1-12-5-4-6-17(19-12)18-10-9-14(20)13-7-8-15(21-2)16(11-13)22-3/h4-8,10-11H,9H2,1-3H3
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n/an/an/an/a 749n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39446
PNG
(MLS000036584 | N-[4-(1-benzofuran-2-yl)phenyl]acet...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C16H13NO2/c1-11(18)17-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,17,18)
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n/an/an/an/a 556n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39448
PNG
(1H-benzimidazol-2-yl-(2-methoxyphenyl)amine | MLS0...)
Show SMILES COc1ccccc1Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H13N3O/c1-18-13-9-5-4-8-12(13)17-14-15-10-6-2-3-7-11(10)16-14/h2-9H,1H3,(H2,15,16,17)
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n/an/an/an/a 1.62E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39455
PNG
(MLS000077990 | N-(5-methyl-1,3-thiazol-2-yl)-2-[(5...)
Show SMILES Cc1cnc(NC(=O)CSc2nnc(o2)-c2ccccc2)s1
Show InChI InChI=1S/C14H12N4O2S2/c1-9-7-15-13(22-9)16-11(19)8-21-14-18-17-12(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,19)
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n/an/an/an/a 4.14E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39468
PNG
(MLS000053302 | N-(3-chloranyl-4-methoxy-phenyl)-1,...)
Show SMILES COc1ccc(NC(=O)c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C15H12ClNO4/c1-19-12-5-3-10(7-11(12)16)17-15(18)9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39470
PNG
(2-[(3-benzamido-4-keto-quinazolin-2-yl)thio]acetic...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H17N3O4S/c1-2-26-16(23)12-27-19-20-15-11-7-6-10-14(15)18(25)22(19)21-17(24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,24)
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n/an/an/an/a 933n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM38393
PNG
(MLS000046703 | N-(2-oxolanylmethyl)-3-furo[3,2-b]q...)
Show SMILES O=C(NCC1CCCO1)c1coc2nc3ccccc3nc12
Show InChI InChI=1S/C16H15N3O3/c20-15(17-8-10-4-3-7-21-10)11-9-22-16-14(11)18-12-5-1-2-6-13(12)19-16/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,20)
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39472
PNG
(4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C17H18N2O4/c1-9-15(11(3)20)10(2)18-16(9)17(21)19-12-4-5-13-14(8-12)23-7-6-22-13/h4-5,8,18H,6-7H2,1-3H3,(H,19,21)
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n/an/an/an/a 400n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39483
PNG
(7-methoxy-N-(1-methoxypropan-2-yl)-4,5-dihydrobenz...)
Show SMILES COCC(C)NC(=O)c1noc-2c1CCc1cc(OC)ccc-21
Show InChI InChI=1S/C17H20N2O4/c1-10(9-21-2)18-17(20)15-14-6-4-11-8-12(22-3)5-7-13(11)16(14)23-19-15/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,20)
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n/an/an/an/a 1.27E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39489
PNG
(1-(3-chlorophenyl)-3-[4-(cyanomethyl)phenyl]urea |...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1
Show InChI InChI=1S/C15H12ClN3O/c16-12-2-1-3-14(10-12)19-15(20)18-13-6-4-11(5-7-13)8-9-17/h1-7,10H,8H2,(H2,18,19,20)
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n/an/an/an/a 1.65E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39503
PNG
(1-[5-fluoro-2-(4-morpholinyl)-4-pyrimidinyl]indoli...)
Show SMILES Fc1cnc(nc1N1CCc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C16H17FN4O/c17-13-11-18-16(20-7-9-22-10-8-20)19-15(13)21-6-5-12-3-1-2-4-14(12)21/h1-4,11H,5-10H2
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n/an/an/an/a 1.02E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39427
PNG
(MLS000072516 | N-[4-(4-Methyl-1H-benzoimidazol-2-y...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc2c(C)cccc2[nH]1
Show InChI InChI=1S/C16H15N3O/c1-10-4-3-5-14-15(10)19-16(18-14)12-6-8-13(9-7-12)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,19)
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n/an/an/an/a 747n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39437
PNG
(4-acetyl-2-(1-piperidinyl)-1-thieno[2,3-b]indoleca...)
Show SMILES CC(=O)n1c2ccccc2c2c(C#N)c(sc12)N1CCCCC1
Show InChI InChI=1S/C18H17N3OS/c1-12(22)21-15-8-4-3-7-13(15)16-14(11-19)17(23-18(16)21)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-10H2,1H3
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n/an/an/an/a 3.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39441
PNG
((2Z)-2-[1-(3-hydroxyanilino)ethylidene]-1-benzothi...)
Show SMILES CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O
Show InChI InChI=1S/C16H13NO2S/c1-10(17-11-5-4-6-12(18)9-11)16-15(19)13-7-2-3-8-14(13)20-16/h2-9,18-19H,1H3
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n/an/an/an/a>3.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39447
PNG
(1-(4-chlorophenyl)-N-(2-pyridinylmethyl)-4-pyrazol...)
Show SMILES Clc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C17H13ClN6/c18-12-4-6-14(7-5-12)24-17-15(10-23-24)16(21-11-22-17)20-9-13-3-1-2-8-19-13/h1-8,10-11H,9H2,(H,20,21,22)
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n/an/an/an/a 2.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39449
PNG
(2-[2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimid...)
Show SMILES OCCOCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-20-21)14(18-10-19-15)17-5-7-23-8-6-22/h1-4,9-10,22H,5-8H2,(H,17,18,19)
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n/an/an/an/a 595n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36939
PNG
(2-(4-benzoxyphenyl)-5-(dimethylamino)oxazole-4-car...)
Show SMILES CN(C)c1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O2/c1-22(2)19-17(12-20)21-18(24-19)15-8-10-16(11-9-15)23-13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3
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n/an/an/an/a 2.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39458
PNG
(3-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)
Show SMILES Clc1ccc(OCc2nnc(SCn3nnc4ccccc4c3=O)n2Cc2ccco2)cc1
Show InChI InChI=1S/C22H17ClN6O3S/c23-15-7-9-16(10-8-15)32-13-20-25-26-22(28(20)12-17-4-3-11-31-17)33-14-29-21(30)18-5-1-2-6-19(18)24-27-29/h1-11H,12-14H2
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n/an/an/an/a 3.69E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39461
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-quinazol...)
Show SMILES O=C(COc1ncnc2ccccc12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H14N2O4/c21-15(12-5-6-16-17(9-12)23-8-7-22-16)10-24-18-13-3-1-2-4-14(13)19-11-20-18/h1-6,9,11H,7-8,10H2
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n/an/an/an/a 615n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36978
PNG
(3,5-dimethyl-4-isoxazolecarboxylic acid [2-[2,5-di...)
Show SMILES Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C21H22N2O4/c1-12-6-8-17(9-7-12)23-13(2)10-18(15(23)4)19(24)11-26-21(25)20-14(3)22-27-16(20)5/h6-10H,11H2,1-5H3
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n/an/an/an/a 1.63E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39484
PNG
(1-{[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]carbonyl}...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O4/c1-21-14-7-6-12(10-16(14)22-2)15-11-13(18-23-15)17(20)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3
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n/an/an/an/a 3.92E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39485
PNG
(1-azepanyl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benz...)
Show SMILES COc1ccc2-c3onc(C(=O)N4CCCCCC4)c3CCc2c1
Show InChI InChI=1S/C19H22N2O3/c1-23-14-7-9-15-13(12-14)6-8-16-17(20-24-18(15)16)19(22)21-10-4-2-3-5-11-21/h7,9,12H,2-6,8,10-11H2,1H3
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n/an/an/an/a 1.57E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39490
PNG
(5-ethyl-N-(2-thenyl)thiophene-2-carboxamide | 5-et...)
Show SMILES CCc1ccc(s1)C(=O)NCc1cccs1
Show InChI InChI=1S/C12H13NOS2/c1-2-9-5-6-11(16-9)12(14)13-8-10-4-3-7-15-10/h3-7H,2,8H2,1H3,(H,13,14)
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n/an/an/an/a>3.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39501
PNG
(5-[(4-fluoranylphenoxy)methyl]-N-(1,3-thiazol-2-yl...)
Show SMILES Fc1ccc(OCc2ccc(o2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C15H11FN2O3S/c16-10-1-3-11(4-2-10)20-9-12-5-6-13(21-12)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19)
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n/an/an/an/a 4.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39511
PNG
(5-(4-butylcyclohexyl)-3-(2-pyridinyl)-1,2,4-oxadia...)
Show SMILES CCCCC1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C17H23N3O/c1-2-3-6-13-8-10-14(11-9-13)17-19-16(20-21-17)15-7-4-5-12-18-15/h4-5,7,12-14H,2-3,6,8-11H2,1H3
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n/an/an/an/a 403n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39513
PNG
(1-(1,3-benzodioxol-5-yl)-2-(2-pyridinylthio)ethano...)
Show SMILES O=C(CSc1ccccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C14H11NO3S/c16-11(8-19-14-3-1-2-6-15-14)10-4-5-12-13(7-10)18-9-17-12/h1-7H,8-9H2
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n/an/an/an/a 1.23E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39421
PNG
(5-Methyl-furan-2-carboxylic acid [5-(4-fluoro-benz...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
Show InChI InChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)15(20)19-16-18-9-13(22-16)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20)
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n/an/an/an/a>407n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39424
PNG
((5-Benzo[1,3]dioxol-5-yl-1-methyl-1H-imidazol-2-yl...)
Show SMILES Cn1c(NCc2ccccc2)ncc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H17N3O2/c1-21-15(14-7-8-16-17(9-14)23-12-22-16)11-20-18(21)19-10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,19,20)
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n/an/an/an/a 1.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM29616
PNG
(Dimethyl-[4-(2-methyl-5,6-dihydro-pyrazolo[1,5-c]q...)
Show SMILES CN(C)c1ccc(cc1)C1Nc2ccccc2-c2cc(C)nn12
Show InChI InChI=1S/C19H20N4/c1-13-12-18-16-6-4-5-7-17(16)20-19(23(18)21-13)14-8-10-15(11-9-14)22(2)3/h4-12,19-20H,1-3H3
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n/an/an/an/a 1.08E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39436
PNG
(2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin...)
Show SMILES CCc1nnc(NC(=O)CSc2nc(C)c3CCCCc3c2C#N)s1
Show InChI InChI=1S/C17H19N5OS2/c1-3-15-21-22-17(25-15)20-14(23)9-24-16-13(8-18)12-7-5-4-6-11(12)10(2)19-16/h3-7,9H2,1-2H3,(H,20,22,23)
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n/an/an/an/a 1.23E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39453
PNG
(2-(2,5-dimethoxy-4-pyrrolidino-benzylidene)thiazol...)
Show SMILES COc1cc(N2CCCC2)c(OC)cc1C=c1sc2nc3ccccc3n2c1=O
Show InChI InChI=1S/C22H21N3O3S/c1-27-18-13-17(24-9-5-6-10-24)19(28-2)11-14(18)12-20-21(26)25-16-8-4-3-7-15(16)23-22(25)29-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39457
PNG
(MLS000039439 | N-(5-cyclohexyl-1,3,4-thiadiazol-2-...)
Show SMILES O=C(Nc1nnc(s1)C1CCCCC1)c1ccco1
Show InChI InChI=1S/C13H15N3O2S/c17-11(10-7-4-8-18-10)14-13-16-15-12(19-13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16,17)
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n/an/an/an/a 596n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39465
PNG
(3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-met...)
Show SMILES COCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1C
Show InChI InChI=1S/C22H31NO5/c1-14-6-18(15(2)23(14)4-5-27-3)19(24)12-28-20(25)21-8-16-7-17(9-21)11-22(26,10-16)13-21/h6,16-17,26H,4-5,7-13H2,1-3H3
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n/an/an/an/a 741n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39466
PNG
(2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-ox...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1CC=C
Show InChI InChI=1S/C19H19N3O2S/c1-4-9-22-12(2)10-15(13(22)3)17(23)11-25-19-20-16-8-6-5-7-14(16)18(24)21-19/h4-8,10H,1,9,11H2,2-3H3,(H,20,21,24)
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n/an/an/an/a 609n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39474
PNG
((6-fluoro-1,3-benzothiazol-2-yl)-(4,5,6,7-tetrahyd...)
Show SMILES Fc1ccc2nc(Nc3nc4CCCCc4s3)sc2c1
Show InChI InChI=1S/C14H12FN3S2/c15-8-5-6-10-12(7-8)20-14(17-10)18-13-16-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,16,17,18)
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n/an/an/an/a 639n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39476
PNG
(1-[[5-(1,3-benzothiazol-2-yl)-2-thienyl]sulfonyl]i...)
Show SMILES CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2O4S3/c1-2-25-19(22)13-9-11-21(12-10-13)28(23,24)17-8-7-16(26-17)18-20-14-5-3-4-6-15(14)27-18/h3-8,13H,2,9-12H2,1H3
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n/an/an/an/a 1.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39480
PNG
(2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-...)
Show SMILES CC(C)(C)n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O
Show InChI InChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
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n/an/an/an/a>136n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39486
PNG
(1-(3-chlorophenyl)-3-[4-(dimethylamino)phenyl]urea...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H16ClN3O/c1-19(2)14-8-6-12(7-9-14)17-15(20)18-13-5-3-4-11(16)10-13/h3-10H,1-2H3,(H2,17,18,20)
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n/an/an/an/a>407n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39492
PNG
(2-(1-benzofuran-2-yl)-4a,5,6,7,8,8a-hexahydroquino...)
Show SMILES [O-]N1C2CCCCC2[N+](=O)C=C1c1cc2ccccc2o1
Show InChI InChI=1S/C16H16N2O3/c19-17-10-14(18(20)13-7-3-2-6-12(13)17)16-9-11-5-1-4-8-15(11)21-16/h1,4-5,8-10,12-13H,2-3,6-7H2
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39493
PNG
(4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)morpholine ...)
Show SMILES C(Cn1c2ccccc2c2nc3ccccc3nc12)N1CCOCC1
Show InChI InChI=1S/C20H20N4O/c1-4-8-18-15(5-1)19-20(22-17-7-3-2-6-16(17)21-19)24(18)10-9-23-11-13-25-14-12-23/h1-8H,9-14H2
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n/an/an/an/a 1.13E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39502
PNG
(MLS000065845 | N-(5-tert-butyl-1,2-oxazol-3-yl)oxo...)
Show SMILES CC(C)(C)c1cc(NC(=O)C2CCCO2)no1
Show InChI InChI=1S/C12H18N2O3/c1-12(2,3)9-7-10(14-17-9)13-11(15)8-5-4-6-16-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
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n/an/an/an/a 2.53E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39505
PNG
(MLS000116378 | N-(2-methylsulfanylphenyl)-5-propyl...)
Show SMILES CCCc1cc(no1)C(=O)Nc1ccccc1SC
Show InChI InChI=1S/C14H16N2O2S/c1-3-6-10-9-12(16-18-10)14(17)15-11-7-4-5-8-13(11)19-2/h4-5,7-9H,3,6H2,1-2H3,(H,15,17)
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n/an/an/an/a 9.17E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM33610
PNG
(1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol...)
Show SMILES O=C(Cc1ccccc1)n1nc(nc1NCc1ccco1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c26-19(14-16-8-3-1-4-9-16)25-21(22-15-18-12-7-13-27-18)23-20(24-25)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,24)
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n/an/an/an/a>1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39512
PNG
(3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phen...)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O3/c1-27-19-12-6-9-16(14-19)20(26)23-18-11-5-10-17(13-18)22-25-24-21(28-22)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,26)
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n/an/an/an/a 1.73E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39514
PNG
(2-(anilinomethylene)-5,5-dimethyl-cyclohexane-1,3-...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1
Show InChI InChI=1S/C15H17NO2/c1-15(2)8-13(17)12(14(18)9-15)10-16-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39429
PNG
(4-[2-(3-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-be...)
Show SMILES Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1O
Show InChI InChI=1S/C15H13N3O2S/c1-9-3-2-6-16-14(9)18-15-17-12(8-21-15)11-5-4-10(19)7-13(11)20/h2-8,19-20H,1H3,(H,16,17,18)
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n/an/an/an/a 1.89E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39357
PNG
(6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole | 6...)
Show SMILES COc1ccc(cc1)-c1cn2ccsc2n1
Show InChI InChI=1S/C12H10N2OS/c1-15-10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11/h2-8H,1H3
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n/an/an/an/a 283n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39440
PNG
(5-bromanyl-N-(3-cyano-5,5-dimethyl-4,7-dihydrothie...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=O)c1ccc(Br)o1)c2C#N
Show InChI InChI=1S/C15H13BrN2O3S/c1-15(2)5-8-9(6-17)14(22-11(8)7-20-15)18-13(19)10-3-4-12(16)21-10/h3-4H,5,7H2,1-2H3,(H,18,19)
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n/an/an/an/a 752n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39451
PNG
(4,6-bis(bromanyl)-2-(4-methoxyphenyl)-1,3-benzoxaz...)
Show SMILES COc1ccc(cc1)-c1nc2c(Br)c(N)c(Br)cc2o1
Show InChI InChI=1S/C14H10Br2N2O2/c1-19-8-4-2-7(3-5-8)14-18-13-10(20-14)6-9(15)12(17)11(13)16/h2-6H,17H2,1H3
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n/an/an/an/a 693n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39454
PNG
(2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulf...)
Show SMILES Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1
Show InChI InChI=1S/C15H12F2N6OS/c16-10-3-4-12(11(17)6-10)20-13(24)8-25-15-22-21-14(23(15)18)9-2-1-5-19-7-9/h1-7H,8,18H2,(H,20,24)
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n/an/an/an/a 6.79E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39456
PNG
((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)-quinoxalin...)
Show SMILES CCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C20H15N5O/c1-2-17-24-18-13-5-3-4-6-16(13)26-19(18)20(25-17)23-12-7-8-14-15(11-12)22-10-9-21-14/h3-11H,2H2,1H3,(H,23,24,25)
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n/an/an/an/a>9.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39471
PNG
(4-(p-anisylamino)benzoic acid | 4-[(4-methoxybenzy...)
Show SMILES COc1ccc(CNc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C15H15NO3/c1-19-14-8-2-11(3-9-14)10-16-13-6-4-12(5-7-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
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n/an/an/an/a 1.50E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39482
PNG
(MLS000087312 | N-(6-tert-butyl-3-cyano-4,5,6,7-tet...)
Show SMILES Cc1cc(no1)C(=O)Nc1sc2CC(CCc2c1C#N)C(C)(C)C
Show InChI InChI=1S/C18H21N3O2S/c1-10-7-14(21-23-10)16(22)20-17-13(9-19)12-6-5-11(18(2,3)4)8-15(12)24-17/h7,11H,5-6,8H2,1-4H3,(H,20,22)
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n/an/an/an/a 8.14E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39494
PNG
(MLS000049572 | N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4...)
Show SMILES COc1ccc(CCC(=O)Nc2ccc(cc2)-c2noc(n2)-c2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C26H25N3O5/c1-31-21-12-4-17(5-13-21)6-15-24(30)27-20-10-7-18(8-11-20)25-28-26(34-29-25)19-9-14-22(32-2)23(16-19)33-3/h4-5,7-14,16H,6,15H2,1-3H3,(H,27,30)
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n/an/an/an/a 2.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39497
PNG
(2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]...)
Show SMILES CN(C)C(=O)CSc1nnc(o1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H23N3O2S/c1-19(2)13(20)9-22-15-18-17-14(21-15)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3
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n/an/an/an/a 5.36E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39506
PNG
(4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-di...)
Show SMILES CC(C)(CC(O)=O)Cc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O3/c1-14(2,8-12(18)19)7-11-16-13(17-20-11)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,18,19)
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n/an/an/an/a>1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39508
PNG
(2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one | 2...)
Show SMILES CCOc1ccc(cc1)N1C(O)c2ccccc2C1=O
Show InChI InChI=1S/C16H15NO3/c1-2-20-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10,15,18H,2H2,1H3
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n/an/an/an/a 886n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39426
PNG
(7-amino-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbox...)
Show SMILES CCOC(=O)c1cnc2c(cnn2c1N)-c1ccccc1
Show InChI InChI=1S/C15H14N4O2/c1-2-21-15(20)12-8-17-14-11(9-18-19(14)13(12)16)10-6-4-3-5-7-10/h3-9H,2,16H2,1H3
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n/an/an/an/a 356n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39431
PNG
(2-(Benzooxazol-2-ylsulfanyl)-N-benzothiazol-2-yl-a...)
Show SMILES O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C16H11N3O2S2/c20-14(19-15-17-11-6-2-4-8-13(11)23-15)9-22-16-18-10-5-1-3-7-12(10)21-16/h1-8H,9H2,(H,17,19,20)
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n/an/an/an/a>1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39439
PNG
((4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopentylam...)
Show SMILES CC(=NC1CCCC1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C18H20N4OS/c1-11(19-13-7-3-4-8-13)16-12(2)21-22(17(16)23)18-20-14-9-5-6-10-15(14)24-18/h5-6,9-10,13,21H,3-4,7-8H2,1-2H3
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39442
PNG
(1,2-dimethoxy-4bH-isoindolo[1,2-b][1,3]benzothiazo...)
Show SMILES COc1ccc2C3Sc4ccccc4N3C(=O)c2c1OC
Show InChI InChI=1S/C16H13NO3S/c1-19-11-8-7-9-13(14(11)20-2)15(18)17-10-5-3-4-6-12(10)21-16(9)17/h3-8,16H,1-2H3
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n/an/an/an/a 766n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39452
PNG
(3-(3-methoxy-4-oxidanyl-phenyl)-2,5-diphenyl-3a,6a...)
Show SMILES COc1cc(ccc1O)C1N(Oc2c(O)n(c(O)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2O5/c1-30-19-14-15(12-13-18(19)27)21-20-22(31-26(21)17-10-6-3-7-11-17)24(29)25(23(20)28)16-8-4-2-5-9-16/h2-14,21,27-29H,1H3
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n/an/an/an/a>3.30E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39460
PNG
(1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(4-thieno[2...)
Show SMILES CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C
Show InChI InChI=1S/C17H19N3O2S/c1-4-6-20-11(2)8-14(12(20)3)15(21)9-22-16-13-5-7-23-17(13)19-10-18-16/h5,7-8,10H,4,6,9H2,1-3H3
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n/an/an/an/a 1.99E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39462
PNG
(MLS000053249 | N-(4-imidazo[2,1-b][1,3]thiazol-6-y...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)C1CC1
Show InChI InChI=1S/C15H13N3OS/c19-14(11-1-2-11)16-12-5-3-10(4-6-12)13-9-18-7-8-20-15(18)17-13/h3-9,11H,1-2H2,(H,16,19)
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n/an/an/an/a 653n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM37007
PNG
(2-methyl-6-phenyl-3-(1-pyrrolyl)-4-thieno[2,3-d]py...)
Show SMILES Cc1nc2sc(cc2c(=O)n1-n1cccc1)-c1ccccc1
Show InChI InChI=1S/C17H13N3OS/c1-12-18-16-14(17(21)20(12)19-9-5-6-10-19)11-15(22-16)13-7-3-2-4-8-13/h2-11H,1H3
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n/an/an/an/a 112n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39477
PNG
(4-[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophe...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C22H24N4O5S2/c1-2-31-22(28)25-10-12-26(13-11-25)33(29,30)16-8-6-15(7-9-16)20(27)24-21-18(14-23)17-4-3-5-19(17)32-21/h6-9H,2-5,10-13H2,1H3,(H,24,27)
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n/an/an/an/a 636n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39479
PNG
(4-[(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C(C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C18H12N2O3S/c1-23-18(22)12-8-6-11(7-9-12)16(21)13(10-19)17-20-14-4-2-3-5-15(14)24-17/h2-9,13H,1H3
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n/an/an/an/a 1.61E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39500
PNG
(4-(tetrahydrofuran-2-carbonylamino)benzoic acid pr...)
Show SMILES CCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C15H19NO4/c1-2-9-20-15(18)11-5-7-12(8-6-11)16-14(17)13-4-3-10-19-13/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
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n/an/an/an/a>3.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39428
PNG
(5-Methyl-furan-2-carboxylic acid (5-benzyl-thiazol...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccccc2)s1
Show InChI InChI=1S/C16H14N2O2S/c1-11-7-8-14(20-11)15(19)18-16-17-10-13(21-16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)
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n/an/an/an/a>407n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39430
PNG
((3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-acetic ac...)
Show SMILES COC(=O)CSc1nc2cc(C)ccc2cc1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39459
PNG
(MLS000056123 | N-(6-mesyl-1,3-benzothiazol-2-yl)-2...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1
Show InChI InChI=1S/C17H14N2O5S2/c1-26(21,22)10-6-7-11-15(8-10)25-17(18-11)19-16(20)14-9-23-12-4-2-3-5-13(12)24-14/h2-8,14H,9H2,1H3,(H,18,19,20)
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n/an/an/an/a 7.32E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39464
PNG
((E)-3-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1ccc2OCCOc2c1
Show InChI InChI=1S/C14H14N2O3S/c1-9(16)11(7-15)12(17)8-20-10-2-3-13-14(6-10)19-5-4-18-13/h2-3,6,11,16H,4-5,8H2,1H3
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n/an/an/an/a 1.17E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39478
PNG
(4-acetyl-3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(C)c2)c1C
Show InChI InChI=1S/C18H22N2O2/c1-11-6-5-7-15(10-11)8-9-19-18(22)17-12(2)16(14(4)21)13(3)20-17/h5-7,10,20H,8-9H2,1-4H3,(H,19,22)
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n/an/an/an/a 2.94E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39491
PNG
(MLS000065859 | N-(2-furanylmethyl)-5,6,7,8-tetrahy...)
Show SMILES O=C(NCc1ccco1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C15H17NO2S/c17-15(16-10-12-6-4-8-18-12)14-9-11-5-2-1-3-7-13(11)19-14/h4,6,8-9H,1-3,5,7,10H2,(H,16,17)
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n/an/an/an/a>1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39499
PNG
(2-anilino-N-(4-fluorophenyl)acetamide | MLS0000628...)
Show SMILES Fc1ccc(NC(=O)CNc2ccccc2)cc1
Show InChI InChI=1S/C14H13FN2O/c15-11-6-8-13(9-7-11)17-14(18)10-16-12-4-2-1-3-5-12/h1-9,16H,10H2,(H,17,18)
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n/an/an/an/a 3.19E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39510
PNG
(2-[(4-hydroxyanilino)methylene]cyclohexane-1,3-qui...)
Show SMILES Oc1ccc(NC=C2C(=O)CCCC2=O)cc1
Show InChI InChI=1S/C13H13NO3/c15-10-6-4-9(5-7-10)14-8-11-12(16)2-1-3-13(11)17/h4-8,14-15H,1-3H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%