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Compile Data Set for Download or QSAR

Found 285 hits Enz. Inhib. hit(s) with Target = 'nuclear receptor subfamily 4, group A, member 1'   
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 subfamily 4, group A, member 1


(Homo sapiens)
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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n/an/an/a 740n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to Nur77 receptor expressed in human BGC823 cells


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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n/an/an/a 1.51E+3n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to NuR77-LBD receptor expressed in human BGC823 cells


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40565
PNG
(MLS000068439 | N-[4-(4-ethyl-1-piperazinyl)phenyl]...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2cccc3ncccc23)cc1
Show InChI InChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-22(27)20-5-3-7-21-19(20)6-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,27)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40566
PNG
(2-(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-i...)
Show SMILES O=C1C(Cc2ccccc12)Sc1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C16H11N3O2S/c20-14-11-6-2-1-5-10(11)9-13(14)22-16-19-18-15(21-16)12-7-3-4-8-17-12/h1-8,13H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40567
PNG
(MLS000076175 | N-(2-furanylmethyl)-4-(2-oxolanylme...)
Show SMILES O=C(NCc1ccco1)c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C17H20N2O5S/c20-17(18-11-14-3-1-9-23-14)13-5-7-16(8-6-13)25(21,22)19-12-15-4-2-10-24-15/h1,3,5-9,15,19H,2,4,10-12H2,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40568
PNG
(2-Imino-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C23H22N6O3/c24-20-17(22(30)26-13-16-6-4-10-32-16)11-18-21(29(20)14-15-5-3-8-25-12-15)27-19-7-1-2-9-28(19)23(18)31/h1-3,5,7-9,11-12,16,24H,4,6,10,13-14H2,(H,26,30)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40569
PNG
(7-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carb...)
Show SMILES Cc1c(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H22N6O2/c1-16-14-20(18-10-6-4-7-11-18)26-22-15-21(28-30(16)22)24(32)27-23-17(2)29(3)31(25(23)33)19-12-8-5-9-13-19/h4-15H,1-3H3,(H,27,32)
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n/an/a 8.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40570
PNG
(2-(2-furanyl)-2,3-dihydro-1H-perimidine | 2-(2-fur...)
Show SMILES N1C(Nc2cccc3cccc1c23)c1ccco1
Show InChI InChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H
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n/an/a 4.28E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40571
PNG
(3-amino-6-methyl-7-thiazolo[3,2-b][1,2,4]triazinon...)
Show SMILES Cc1nn2c(N)csc2nc1=O
Show InChI InChI=1S/C6H6N4OS/c1-3-5(11)8-6-10(9-3)4(7)2-12-6/h2H,7H2,1H3
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n/an/a>1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40572
PNG
(MLS000027493 | N-(2,5-Dimethoxy-phenyl)-3-(4-methy...)
Show SMILES COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1
Show InChI InChI=1S/C17H26N2O3/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM31691
PNG
(3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo...)
Show SMILES COc1cccc(c1)C(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-5-7-17(13-22)24(29)26-19-14-20-10-6-11-21(15-19)27(20)16-23(28)25-18-8-3-2-4-9-18/h2-5,7-9,12-13,19-21H,6,10-11,14-16H2,1H3,(H,25,28)(H,26,29)
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n/an/a 7.36E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40573
PNG
(3-[1-(2-carboxyethyl)-5-(2-thienyl)pyrrol-2-yl]pro...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCC(O)=O
Show InChI InChI=1S/C14H15NO4S/c16-13(17)6-4-10-3-5-11(12-2-1-9-20-12)15(10)8-7-14(18)19/h1-3,5,9H,4,6-8H2,(H,16,17)(H,18,19)
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n/an/a 7.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40574
PNG
(2-Imino-8-methyl-10-oxo-1-pyridin-3-ylmethyl-1,10-...)
Show SMILES Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)C(=O)NCC1CCCO1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM32008
PNG
(1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;hy...)
Show SMILES COc1cc(NCCCC(C)N)c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3
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n/an/a 8.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40575
PNG
(3-acetyl-1-benzyl-2-(furan-2-yl)-4-hydroxy-2H-pyrr...)
Show SMILES CC(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccco1
Show InChI InChI=1S/C17H15NO4/c1-11(19)14-15(13-8-5-9-22-13)18(17(21)16(14)20)10-12-6-3-2-4-7-12/h2-9,14-15H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM32012
PNG
(1-(3,4-Dihydroxy-phenyl)-2-(5-phenyl-4H-[1,2,4]tri...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c20-12-7-6-11(8-13(12)21)14(22)9-23-16-17-15(18-19-16)10-4-2-1-3-5-10/h1-8,20-21H,9H2,(H,17,18,19)
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n/an/a 3.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40576
PNG
(2-(2,5-Dimethyl-pyrrol-1-yl)-3-phenyl-propionic ac...)
Show SMILES Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18)
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n/an/a<195n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40577
PNG
(4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol ...)
Show SMILES Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c23-14-9-7-13(8-10-14)19-18-20-16-6-2-1-5-15(16)17(21-18)22-11-3-4-12-22/h1-2,5-10,23H,3-4,11-12H2,(H,19,20,21)
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n/an/a 4.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40578
PNG
(1-(2-Methyl-6,7-dihydro-5H-cyclopentapyrimidin-4-y...)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)c2nc(C)nc3CCCc23)cc1
Show InChI InChI=1S/C21H26N4O2/c1-14-22-19-5-3-4-18(19)20(23-14)25-12-10-15(11-13-25)21(26)24-16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,24,26)
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n/an/a 3.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40579
PNG
(3-Amino-4-(4-methyl-piperidin-1-yl)-benzoic acid |...)
Show SMILES CC1CCN(CC1)c1ccc(cc1N)C(O)=O
Show InChI InChI=1S/C13H18N2O2/c1-9-4-6-15(7-5-9)12-3-2-10(13(16)17)8-11(12)14/h2-3,8-9H,4-7,14H2,1H3,(H,16,17)
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n/an/a 3.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40580
PNG
(3,6-Di-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thi...)
Show SMILES c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H6N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H
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n/an/a 8.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40581
PNG
((phenylmethyl) 4-[2-(diethylamino)ethyl]-3,5-dimet...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
Show InChI InChI=1S/C20H28N2O2/c1-5-22(6-2)13-12-18-15(3)19(21-16(18)4)20(23)24-14-17-10-8-7-9-11-17/h7-11,21H,5-6,12-14H2,1-4H3
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n/an/a 4.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40582
PNG
(MLS000033989 | N-(4-Dimethylamino-phenyl)-2-(2-oxo...)
Show SMILES CN(C)c1ccc(NC(=O)CN2c3ccccc3N=C(CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H24N4O2/c1-28(2)20-14-12-19(13-15-20)26-24(30)17-29-23-11-7-6-10-21(23)27-22(16-25(29)31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40583
PNG
(2-[4-(4-cyclohexyl-1-piperazinyl)but-2-ynyl]isoind...)
Show SMILES O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H27N3O2/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,8-9,12-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40584
PNG
(1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy...)
Show SMILES Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12
Show InChI InChI=1S/C16H24N2O2/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40585
PNG
(MLS000038587 | SMR000038600 | cid_657644)
Show SMILES NC(=O)C(C#N)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1
Show InChI InChI=1S/C22H24N4O/c23-13-17(21(24)27)14-8-9-18-20(12-14)26-19-7-2-1-5-15(19)11-16-6-3-4-10-22(16,26)25-18/h8-9,12,16H,1-7,10-11H2,(H2,24,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40586
PNG
(2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...)
Show SMILES CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C14H16N2O3S2/c1-3-16-12(17)10-8-5-4-6-9(8)21-11(10)15-14(16)20-7(2)13(18)19/h7H,3-6H2,1-2H3,(H,18,19)
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n/an/a 7.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM34170
PNG
(2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]t...)
Show SMILES CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C13H14N2O3S2/c1-2-15-12(18)10-7-4-3-5-8(7)20-11(10)14-13(15)19-6-9(16)17/h2-6H2,1H3,(H,16,17)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM39358
PNG
(2-[(3-allyl-4-keto-7-methyl-6,8-dihydro-5H-pyrido[...)
Show SMILES COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1CC=C
Show InChI InChI=1S/C16H19N3O3S2/c1-4-6-19-15(21)13-10-5-7-18(2)8-11(10)24-14(13)17-16(19)23-9-12(20)22-3/h4H,1,5-9H2,2-3H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM39914
PNG
(2-(4-chloro-2-methyl-phenoxy)acetic acid [2-(dimet...)
Show SMILES CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
Show InChI InChI=1S/C14H18ClNO4/c1-9-7-11(15)5-6-12(9)19-8-13(17)20-10(2)14(18)16(3)4/h5-7,10H,8H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40587
PNG
(2-azanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-4H-pyr...)
Show SMILES CC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccco1
Show InChI InChI=1S/C13H12N2O3/c1-7(16)11-8(2)18-13(15)9(6-14)12(11)10-4-3-5-17-10/h3-5,9,12,15H,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40588
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydr...)
Show SMILES O=C(CCN1CCc2ccccc12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-17(15-5-6-18-19(13-15)23-12-11-22-18)8-10-20-9-7-14-3-1-2-4-16(14)20/h1-6,13H,7-12H2
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n/an/a 5.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40589
PNG
(3-(4-methylphenyl)-7-(3-pyridinylmethylidene)-2,4-...)
Show SMILES Cc1ccc(cc1)N1CN=c2sc(=Cc3cccnc3)c(=O)n2C1
Show InChI InChI=1S/C18H16N4OS/c1-13-4-6-15(7-5-13)21-11-20-18-22(12-21)17(23)16(24-18)9-14-3-2-8-19-10-14/h2-10H,11-12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40590
PNG
(4-[(2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid | ...)
Show SMILES Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-10-3-4-11(2)15(10)9-12-5-7-13(8-6-12)14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/a 6.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM31750
PNG
(5,6-bis(2-furanyl)-3-(methylthio)-1,2,4-triazine |...)
Show SMILES CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S/c1-18-12-13-10(8-4-2-6-16-8)11(14-15-12)9-5-3-7-17-9/h2-7H,1H3
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n/an/a 1.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40591
PNG
(2-azanylidene-1-methyl-3-(phenylsulfonyl)dipyrido[...)
Show SMILES Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H14N4O3S/c1-21-16(19)14(26(24,25)12-7-3-2-4-8-12)11-13-17(21)20-15-9-5-6-10-22(15)18(13)23/h2-11,19H,1H3
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n/an/a>1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40592
PNG
(MLS000077534 | N-(2-hydroxy-3-piperidin-1-ylpropyl...)
Show SMILES OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C20H26N2O3S/c23-19(16-21-14-8-3-9-15-21)17-22(18-10-4-1-5-11-18)26(24,25)20-12-6-2-7-13-20/h1-2,4-7,10-13,19,23H,3,8-9,14-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40593
PNG
((4-acetamidophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5...)
Show SMILES CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1
Show InChI InChI=1S/C13H12N2O5S/c1-7(16)14-8-2-4-9(5-3-8)20-11(17)6-10-12(18)15-13(19)21-10/h2-5,10H,6H2,1H3,(H,14,16)(H,15,18,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM35497
PNG
(2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-...)
Show SMILES O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1
Show InChI InChI=1S/C19H14N4O3S/c24-16(20-13-6-2-1-3-7-13)12-27-19-21-17(14-8-4-10-25-14)18(22-23-19)15-9-5-11-26-15/h1-11H,12H2,(H,20,24)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40594
PNG
(2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
Show InChI InChI=1S/C20H16N4O3S/c1-13-6-8-14(9-7-13)21-17(25)12-28-20-22-18(15-4-2-10-26-15)19(23-24-20)16-5-3-11-27-16/h2-11H,12H2,1H3,(H,21,25)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40595
PNG
(3-bromanyl-5-morpholin-4-ylcarbonyl-pyran-2-one | ...)
Show SMILES Brc1cc(coc1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C10H10BrNO4/c11-8-5-7(6-16-10(8)14)9(13)12-1-3-15-4-2-12/h5-6H,1-4H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40596
PNG
(MLS000080309 | N-[5-(4-bromophenyl)-7-(2-methoxyph...)
Show SMILES COc1ccccc1C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1
Show InChI InChI=1S/C19H18BrN5O3S/c1-28-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)21-19-22-18(23-25(16)19)24-29(2,26)27/h3-10,16H,11H2,1-2H3,(H,23,24)
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n/an/a>6.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40597
PNG
(3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperaziny...)
Show SMILES COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O5/c1-17-3-5-20-19(13-17)24(25(27-20)26(32)33-2)28-23(31)7-8-29-9-11-30(12-10-29)15-18-4-6-21-22(14-18)35-16-34-21/h3-6,13-14,27H,7-12,15-16H2,1-2H3,(H,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 6.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40598
PNG
(2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thi...)
Show SMILES CN(C)CCSc1nc(N)c2c3CCN(C)Cc3sc2n1
Show InChI InChI=1S/C14H21N5S2/c1-18(2)6-7-20-14-16-12(15)11-9-4-5-19(3)8-10(9)21-13(11)17-14/h4-8H2,1-3H3,(H2,15,16,17)
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n/an/a 4.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40599
PNG
(6-(4-fluorobenzyl)-2-(2-furfurylidene)thiazolo[3,2...)
Show SMILES Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
Show InChI InChI=1S/C17H10FN3O3S/c18-11-5-3-10(4-6-11)8-13-15(22)19-17-21(20-13)16(23)14(25-17)9-12-2-1-7-24-12/h1-7,9H,8H2
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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM40600
PNG
(3-[3-(4-carbamoylpiperidino)propanoylamino]-4-meth...)
Show SMILES COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(CC1)C(N)=O
Show InChI InChI=1S/C20H26N4O5/c1-28-14-5-3-4-13-16(14)17(18(22-13)20(27)29-2)23-15(25)8-11-24-9-6-12(7-10-24)19(21)26/h3-5,12,22H,6-11H2,1-2H3,(H2,21,26)(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM34274
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Show InChI InChI=1S/C20H19N3O4S/c1-3-10-23-19(14-6-4-5-7-18(14)27-2)21-22-20(23)28-12-17(26)13-8-9-15(24)16(25)11-13/h3-9,11,24-25H,1,10,12H2,2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens)
BDBM39936
PNG
((3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxypheny...)
Show SMILES COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O
Show InChI InChI=1S/C19H15ClN2O5/c1-25-10-7-8-14(26-2)13(9-10)22-18(23)15-16(21-27-17(15)19(22)24)11-5-3-4-6-12(11)20/h3-9,21,24H,1-2H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
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