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Compile Data Set for Download or QSAR

Found 240 hits of ec50 data for polymerid = 50004330,50006458   
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
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 29n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...


Bioorg Med Chem Lett 25: 4109-13 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...


Bioorg Med Chem Lett 25: 4109-13 (2015)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39527
PNG
(MLS000070707 | N-(6-ethoxy-1,3-benzothiazol-2-yl)-...)
Show SMILES CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
Show InChI InChI=1S/C14H12N4O2S/c1-2-20-9-3-4-10-12(7-9)21-14(17-10)18-13(19)11-8-15-5-6-16-11/h3-8H,2H2,1H3,(H,17,18,19)
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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...


Bioorg Med Chem Lett 25: 4109-13 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39548
PNG
((2-phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-...)
Show SMILES Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c1-18-9-5-8-14(18)16(19)20-10-13-11-21-15(17-13)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...


Bioorg Med Chem Lett 25: 4109-13 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39534
PNG
(1-azepanyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES O=C(N1CCCCCC1)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c25-21(24-14-6-1-2-7-15-24)18-12-10-17(11-13-18)20-23-22-19(26-20)16-8-4-3-5-9-16/h3-5,8-13H,1-2,6-7,14-15H2
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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39537
PNG
(MLS000077996 | N-[5-(1-adamantyl)-1,3,4-thiadiazol...)
Show SMILES O=C(Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2)c1ccco1
Show InChI InChI=1S/C17H19N3O2S/c21-14(13-2-1-3-22-13)18-16-20-19-15(23-16)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,18,20,21)
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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM50108881
PNG
(CHEMBL3596591)
Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha transfected in HEK293T cells by Gal4 luciferase reporter gene assay


Bioorg Med Chem Lett 26: 2459-63 (2016)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39565
PNG
(2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadia...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C14H8Cl2N2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H
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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39571
PNG
((Z)-4-(4-ethoxyphenyl)-3-buten-2-one oxime | (Z)-4...)
Show SMILES CCOc1ccc(C=CC(C)N=O)cc1
Show InChI InChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-10H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39544
PNG
(2-[2-[[3-(4-chlorophenyl)-5-methyl-7-pyrazolo[1,5-...)
Show SMILES Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C17H19ClN4O2/c1-12-10-16(19-6-8-24-9-7-23)22-17(21-12)15(11-20-22)13-2-4-14(18)5-3-13/h2-5,10-11,19,23H,6-9H2,1H3
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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39531
PNG
(8-methyl-2-phenyl-imidazo[1,2-a]pyridine | 8-methy...)
Show SMILES Cc1cccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N2/c1-11-6-5-9-16-10-13(15-14(11)16)12-7-3-2-4-8-12/h2-10H,1H3
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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)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39533
PNG
(5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazol...)
Show SMILES CCOc1ccc(cc1)-c1nc(C#N)c(NC2CC2)o1
Show InChI InChI=1S/C15H15N3O2/c1-2-19-12-7-3-10(4-8-12)14-18-13(9-16)15(20-14)17-11-5-6-11/h3-4,7-8,11,17H,2,5-6H2,1H3
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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39530
PNG
(3-(2-keto-1-methyl-propoxy)-4-methyl-7,8,9,10-tetr...)
Show SMILES CC(Oc1ccc2c3CCCCc3c(=O)oc2c1C)C(C)=O
Show InChI InChI=1S/C18H20O4/c1-10-16(21-12(3)11(2)19)9-8-14-13-6-4-5-7-15(13)18(20)22-17(10)14/h8-9,12H,4-7H2,1-3H3
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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39546
PNG
(4-(1-ethyl-2-benzimidazolyl)-N,N-dimethylaniline |...)
Show SMILES CCn1c(nc2ccccc12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
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n/an/an/an/a 823n/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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39545
PNG
(3-(3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-oxadiazo...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11/h2-9H,1H3
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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)

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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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)

More data for this
Ligand-Target Pair
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