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Compile Data Set for Download or QSAR

Found 293 hits Enz. Inhib. hit(s) with Target = 'Liver Receptor Homolog 1' AND taxid = 9606   
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 subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95538
PNG
(3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1c(F)cccc1Cl
Show InChI InChI=1S/C16H9ClFN4O6/c1-7-12(14(20-27-7)13-8(17)3-2-4-9(13)18)16(23)28-21-15(19)10-5-6-11(26-10)22(24)25/h2-6H,1H3,(H-,19,21)/q-1/p+1
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n/an/a 143n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM54414
PNG
(5-Nitro-furan-2-carboxylic acid (4-chloro-benzothi...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
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n/an/a>148n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95592
PNG
(2-(2-keto-4,7-dimethyl-chromen-5-yl)oxy-N-thiazol-...)
Show SMILES Cc1cc(OCC(=O)Nc2nccs2)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C16H14N2O4S/c1-9-5-11(15-10(2)7-14(20)22-12(15)6-9)21-8-13(19)18-16-17-3-4-23-16/h3-7H,8H2,1-2H3,(H,17,18,19)
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n/an/a 168n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95632
PNG
(2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoi...)
Show SMILES Cc1cc(Br)ccc1NC(=O)CN1C(=O)C2CC=CCC2C1=O
Show InChI InChI=1S/C17H17BrN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-3,6-8,12-13H,4-5,9H2,1H3,(H,19,21)
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n/an/a 169n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95539
PNG
(3-(2,3-dichlorophenyl)-5-methyl-4-isoxazolecarboxy...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H9Cl2N4O6/c1-7-12(14(20-27-7)8-3-2-4-9(17)13(8)18)16(23)28-21-15(19)10-5-6-11(26-10)22(24)25/h2-6H,1H3,(H-,19,21)/q-1/p+1
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n/an/a 198n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95583
PNG
(MLS001159100 | N-cyclopropyl-2-(4-ethyl-2-keto-7-m...)
Show SMILES CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12
Show InChI InChI=1S/C17H19NO4/c1-3-11-8-16(20)22-14-7-10(2)6-13(17(11)14)21-9-15(19)18-12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)
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n/an/a 292n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95680
PNG
(MLS000097457 | N-(2-methoxyphenyl)-4-[2-[(1-methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
Show InChI InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
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n/an/a 437n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95492
PNG
(MLS000580453 | N-[3-[2-(3-methoxyphenyl)-2-oxidany...)
Show SMILES COc1cccc(c1)C(=O)COc1cccc(NC(=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C22H18N2O6/c1-29-19-9-3-5-15(12-19)21(25)14-30-20-10-4-7-17(13-20)23-22(26)16-6-2-8-18(11-16)24(27)28/h2-13H,14H2,1H3,(H,23,26)
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n/an/a>443n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95567
PNG
(4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid (4...)
Show SMILES Cn1cc(Cl)c(n1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13ClN4O5S/c1-18-6-10(14)12(17-18)13(20)23-7-11(19)16-8-2-4-9(5-3-8)24(15,21)22/h2-6H,7H2,1H3,(H,16,19)(H2,15,21,22)
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n/an/a 450n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95537
PNG
(3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic ...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1ccccc1Cl
Show InChI InChI=1S/C16H10ClN4O6/c1-8-13(14(19-26-8)9-4-2-3-5-10(9)17)16(22)27-20-15(18)11-6-7-12(25-11)21(23)24/h2-7H,1H3,(H-,18,20)/q-1/p+1
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n/an/a 495n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95488
PNG
((5Z)-5-[4-[(4-methyl-2-oxido-furazan-2-ium-3-yl)me...)
Show SMILES Cc1n[o+]n([O-])c1COc1ccc(\C=C2/NC(=S)NC2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c1-8-12(18(20)22-17-8)7-21-10-4-2-9(3-5-10)6-11-13(19)16-14(23)15-11/h2-6H,7H2,1H3,(H2,15,16,19,23)/b11-6-
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n/an/a 578n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95566
PNG
(2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-p-phenety...)
Show SMILES CCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N4O3S/c1-2-20-10-5-3-9(4-6-10)15-12(19)8-21-13-16-11(18)7-14-17-13/h3-7H,2,8H2,1H3,(H,15,19)(H,16,17,18)
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n/an/a 594n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95476
PNG
(MLS000050294 | N-[2-methyl-5-(3-methyl-[1,2,4]tria...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C16H13N5OS2/c1-9-5-6-11(15-20-21-10(2)18-19-16(21)24-15)8-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM55066
PNG
(MLS001139963 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Show InChI InChI=1S/C16H9N3O6S/c20-15(11-5-6-12(25-11)19(21)22)18-16-17-13(9-3-1-7-23-9)14(26-16)10-4-2-8-24-10/h1-8H,(H,17,18,20)
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n/an/a 1.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95659
PNG
(2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-...)
Show SMILES COc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1
Show InChI InChI=1S/C20H27N3O4/c1-14-5-3-4-11-20(14)18(25)23(19(26)22-20)13-17(24)21-12-10-15-6-8-16(27-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,24)(H,22,26)
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n/an/a 1.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95601
PNG
(MLS001159103 | N-cyclopropyl-2-(2-keto-7-methyl-4-...)
Show SMILES CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12
Show InChI InChI=1S/C18H21NO4/c1-3-4-12-9-17(21)23-15-8-11(2)7-14(18(12)15)22-10-16(20)19-13-5-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,20)
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n/an/a 1.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95679
PNG
(1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N
Show InChI InChI=1S/C23H22N4O3S/c1-16-22(17(2)27(26-16)14-18-8-4-3-5-9-18)23(29)30-15-21(28)25-19-10-6-7-11-20(19)31-13-12-24/h3-11H,13-15H2,1-2H3,(H,25,28)
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95469
PNG
((2S)-2-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]t...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1
Show InChI InChI=1S/C21H28N4O4S/c1-13-8-9-15(14(2)11-13)22-17(26)12-30-19-24-23-18(28-19)16-7-6-10-25(16)20(27)29-21(3,4)5/h8-9,11,16H,6-7,10,12H2,1-5H3,(H,22,26)/t16-/m0/s1
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM56817
PNG
(MLS000833680 | N-(4-bromanyl-5-methyl-1,2-oxazol-3...)
Show SMILES Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br
Show InChI InChI=1S/C9H6BrN3O5/c1-4-7(10)8(12-18-4)11-9(14)5-2-3-6(17-5)13(15)16/h2-3H,1H3,(H,11,12,14)
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95664
PNG
((2R)-2-[(4S,5R)-8-(2-fluorophenyl)-1,1-diketo-4-me...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)-c1ccccc1F
Show InChI InChI=1S/C27H32FN3O4S/c1-19-15-31(20(2)18-32)36(33,34)27-9-8-22(23-6-4-5-7-24(23)28)14-25(27)35-26(19)17-30(3)16-21-10-12-29-13-11-21/h4-14,19-20,26,32H,15-18H2,1-3H3/t19-,20+,26-/m0/s1
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95516
PNG
(MLS000687173 | N-[5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C12H10Cl2N2OS/c1-7(17)16-12-15-6-10(18-12)5-8-4-9(13)2-3-11(8)14/h2-4,6H,5H2,1H3,(H,15,16,17)
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n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95574
PNG
(2-[(4-keto-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H18N4O3S/c1-10-8-11(2)19-16-15(10)17(24)22-18(21-16)26-9-14(23)20-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,23)(H,19,21,22,24)
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n/an/a 1.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95529
PNG
(MLS001018993 | N-(4-methoxyphenyl)-2-(1H-pyrazolo[...)
Show SMILES COc1ccc(NC(=O)CSc2ncnc3n[nH]cc23)cc1
Show InChI InChI=1S/C14H13N5O2S/c1-21-10-4-2-9(3-5-10)18-12(20)7-22-14-11-6-17-19-13(11)15-8-16-14/h2-6,8H,7H2,1H3,(H,18,20)(H,15,16,17,19)
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n/an/a 1.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM60131
PNG
(MLS000703192 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CCc1c(C)nc(SCC(=O)Nc2ccc3OCCOc3c2)[nH]c1=O
Show InChI InChI=1S/C17H19N3O4S/c1-3-12-10(2)18-17(20-16(12)22)25-9-15(21)19-11-4-5-13-14(8-11)24-7-6-23-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)(H,18,20,22)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95497
PNG
(2-(3-Benzo[1,3]dioxol-5-ylmethyl-1-methyl-5-oxo-2-...)
Show SMILES CCCOc1ccc(NC(=O)CC2N(Cc3ccc4OCOc4c3)C(=S)N(C)C2=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-3-10-29-17-7-5-16(6-8-17)24-21(27)12-18-22(28)25(2)23(32)26(18)13-15-4-9-19-20(11-15)31-14-30-19/h4-9,11,18H,3,10,12-14H2,1-2H3,(H,24,27)
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n/an/a 1.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95575
PNG
(4-[2-(3,5-dimethoxyphenyl)-3-furo[3,2-b]pyridinyl]...)
Show SMILES COc1cc(OC)cc(c1)-c1oc2cccnc2c1C#CCCO
Show InChI InChI=1S/C19H17NO4/c1-22-14-10-13(11-15(12-14)23-2)19-16(6-3-4-9-21)18-17(24-19)7-5-8-20-18/h5,7-8,10-12,21H,4,9H2,1-2H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95562
PNG
(MLS000936320 | N-cyclopropyl-3-keto-4-(3-methylben...)
Show SMILES Cc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC2CC2)c1
Show InChI InChI=1S/C20H20N2O2S/c1-13-3-2-4-14(9-13)11-22-17-10-15(20(24)21-16-6-7-16)5-8-18(17)25-12-19(22)23/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,21,24)
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n/an/a 1.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95534
PNG
(2-(2-azanylidene-1,3-thiazol-3-yl)-N-(4-sulfamoylp...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cn2ccsc2=N)cc1
Show InChI InChI=1S/C11H12N4O3S2/c12-11-15(5-6-19-11)7-10(16)14-8-1-3-9(4-2-8)20(13,17)18/h1-6,12H,7H2,(H,14,16)(H2,13,17,18)
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n/an/a 2.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95608
PNG
(2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl...)
Show SMILES CCOc1ccc(NC(=O)CSc2nccn(-c3ccc4OCCOc4c3)c2=O)cc1
Show InChI InChI=1S/C22H21N3O5S/c1-2-28-17-6-3-15(4-7-17)24-20(26)14-31-21-22(27)25(10-9-23-21)16-5-8-18-19(13-16)30-12-11-29-18/h3-10,13H,2,11-12,14H2,1H3,(H,24,26)
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n/an/a 2.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95505
PNG
(2-(1H-indol-3-yl)acetic acid [2-(4-acetamidoanilin...)
Show SMILES CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H19N3O4/c1-13(24)22-15-6-8-16(9-7-15)23-19(25)12-27-20(26)10-14-11-21-18-5-3-2-4-17(14)18/h2-9,11,21H,10,12H2,1H3,(H,22,24)(H,23,25)
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n/an/a 2.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95600
PNG
(2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxy-N-(3-py...)
Show SMILES Cc1cc(OCC(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1
Show InChI InChI=1S/C20H20N2O4/c1-12-7-16(19-13(2)14(3)20(24)26-17(19)8-12)25-11-18(23)22-10-15-5-4-6-21-9-15/h4-9H,10-11H2,1-3H3,(H,22,23)
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n/an/a 2.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95624
PNG
(2,4-dihydroxybenzoic acid [2-[4-[2-(2,4-dihydroxyb...)
Show SMILES Oc1ccc(C(=O)OCC(=O)N2CCN(CC2)C(=O)COC(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H22N2O10/c25-13-1-3-15(17(27)9-13)21(31)33-11-19(29)23-5-7-24(8-6-23)20(30)12-34-22(32)16-4-2-14(26)10-18(16)28/h1-4,9-10,25-28H,5-8,11-12H2
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n/an/a 3.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95489
PNG
(2-[4-(2-Methoxy-acetylamino)-piperidin-1-yl]-N-(4-...)
Show SMILES COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)
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n/an/a 3.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM63989
PNG
(2-(benzenesulfonyl)-N-(3-chloro-2-methylphenyl)ace...)
Show SMILES Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14ClNO3S/c1-11-13(16)8-5-9-14(11)17-15(18)10-21(19,20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a>3.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95653
PNG
(1-oxido-3-pyridin-1-iumcarboxylic acid [2-(2-chlor...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Cl)c1
Show InChI InChI=1S/C14H10ClN3O6/c15-11-6-10(18(22)23)3-4-12(11)16-13(19)8-24-14(20)9-2-1-5-17(21)7-9/h1-7H,8H2,(H,16,19)
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n/an/a>3.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95611
PNG
(2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-(3-nitrop...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)CSc2[nH+]ncc(=O)[n-]2)c1
Show InChI InChI=1S/C11H9N5O4S/c17-9-5-12-15-11(14-9)21-6-10(18)13-7-2-1-3-8(4-7)16(19)20/h1-5H,6H2,(H2,13,14,15,17,18)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95591
PNG
(1-[1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]b...)
Show SMILES NC(=O)C1CCN(CC1)C(=O)COc1ccc2c3CCCCc3c(=O)oc2c1
Show InChI InChI=1S/C21H24N2O5/c22-20(25)13-7-9-23(10-8-13)19(24)12-27-14-5-6-16-15-3-1-2-4-17(15)21(26)28-18(16)11-14/h5-6,11,13H,1-4,7-10,12H2,(H2,22,25)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95646
PNG
(4-ketochromene-2-carboxylic acid [2-(2-bromo-4-met...)
Show SMILES Cc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(Br)c1
Show InChI InChI=1S/C19H14BrNO5/c1-11-6-7-14(13(20)8-11)21-18(23)10-25-19(24)17-9-15(22)12-4-2-3-5-16(12)26-17/h2-9H,10H2,1H3,(H,21,23)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95519
PNG
(MLS000694878 | N-({[(2-fluorobenzyl)oxy]imino}meth...)
Show SMILES COc1ccnc(Oc2ccccc2)c1C(=O)NC=NOCc1ccccc1F
Show InChI InChI=1S/C21H18FN3O4/c1-27-18-11-12-23-21(29-16-8-3-2-4-9-16)19(18)20(26)24-14-25-28-13-15-7-5-6-10-17(15)22/h2-12,14H,13H2,1H3,(H,24,25,26)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95586
PNG
(2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxy-N-(2-...)
Show SMILES CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccccn3)c12
Show InChI InChI=1S/C20H20N2O4/c1-3-6-14-11-19(24)26-16-10-13(2)9-15(20(14)16)25-12-18(23)22-17-7-4-5-8-21-17/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,22,23)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95565
PNG
(MLS001162031 | N-(2,4-difluorophenyl)-2-[(5-phenyl...)
Show SMILES Fc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C16H12F2N4OS/c17-11-6-7-13(12(18)8-11)19-14(23)9-24-16-20-15(21-22-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,20,21,22)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95541
PNG
(3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]c...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C19H19N3O5/c23-18(20-12-17-5-2-10-27-17)13-6-8-15(9-7-13)21-19(24)14-3-1-4-16(11-14)22(25)26/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,20,23)(H,21,24)
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95508
PNG
(1-(2-fluoranyl-4-nitro-5-piperazin-1-yl-phenyl)aze...)
Show SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCNCC1)N1CCCCCC1
Show InChI InChI=1S/C16H23FN4O2/c17-13-11-16(21(22)23)15(20-9-5-18-6-10-20)12-14(13)19-7-3-1-2-4-8-19/h11-12,18H,1-10H2
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n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95474
PNG
(MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-30-19-5-3-2-4-18(19)25-23(29)16-27-10-8-26(9-11-27)15-22(28)24-17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)(H,25,29)
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n/an/a 4.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95641
PNG
(MLS002252657 | N-[2-(1-cyclohexenyl)ethyl]-2-[(2-m...)
Show SMILES Cc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1
Show InChI InChI=1S/C20H24N2O2/c1-15-10-11-17-8-5-9-18(20(17)22-15)24-14-19(23)21-13-12-16-6-3-2-4-7-16/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,23)
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n/an/a 4.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95530
PNG
(5-nitro-N-(2-oxidanyl-5-sulfamoyl-phenyl)furan-2-c...)
Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
Show InChI InChI=1S/C11H9N3O7S/c12-22(19,20)6-1-2-8(15)7(5-6)13-11(16)9-3-4-10(21-9)14(17)18/h1-5,15H,(H,13,16)(H2,12,19,20)
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n/an/a 4.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95485
PNG
(3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...)
Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)
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n/an/a 4.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95671
PNG
(MLS003124236 | N-[3-(4-fluorophenyl)-6-(4-mesylphe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(NC=O)c2ncc(-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C21H16FN3O3S/c1-29(27,28)18-8-4-14(5-9-18)16-10-19(24-13-26)21-23-11-20(25(21)12-16)15-2-6-17(22)7-3-15/h2-13H,1H3,(H,24,26)
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n/an/a 4.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95652
PNG
((2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-buty...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C23H26N2O8/c1-13(2)21(25-22(27)14-7-16(29-3)10-17(8-14)30-4)23(28)31-11-20(26)24-15-5-6-18-19(9-15)33-12-32-18/h5-10,13,21H,11-12H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1
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n/an/a 4.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95526
PNG
(4-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-e...)
Show SMILES CCCN(CC(=O)Nc1ccc(cc1)C(N)=O)CC(=O)Nc1ccccc1C
Show InChI InChI=1S/C21H26N4O3/c1-3-12-25(14-20(27)24-18-7-5-4-6-15(18)2)13-19(26)23-17-10-8-16(9-11-17)21(22)28/h4-11H,3,12-14H2,1-2H3,(H2,22,28)(H,23,26)(H,24,27)
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n/an/a 5.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
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