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Compile Data Set for Download or QSAR

Found 249 hits Enz. Inhib. hit(s) with Target = 'nuclear receptor subfamily 0 group B member 1'   
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 0 group B member 1


(Homo sapiens)
BDBM97328
PNG
((S)-[5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHY...)
Show SMILES CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12
Show InChI InChI=1S/C23H27NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)
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n/an/a>30.9n/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 0 group B member 1


(Homo sapiens)
BDBM50014860
PNG
((1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-be...)
Show SMILES CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12
Show InChI InChI=1S/C23H27NO7/c1-6-31-23(26)24-16-9-7-13-11-19(28-3)21(29-4)22(30-5)20(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1
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n/an/a>30.9n/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 0 group B member 1


(Homo sapiens)
BDBM97221
PNG
(2-(1,3-benzodioxol-5-yl)-6-imidazo[1,2-a]pyridinec...)
Show SMILES COC(=O)c1ccc2nc(cn2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H12N2O4/c1-20-16(19)11-3-5-15-17-12(8-18(15)7-11)10-2-4-13-14(6-10)22-9-21-13/h2-8H,9H2,1H3
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Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97286
PNG
(MLS001232823 | N-[5-[2-(cyclopentylamino)-2-oxidan...)
Show SMILES COc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)c(OC)c1
Show InChI InChI=1S/C18H22N4O4S2/c1-25-12-7-8-13(14(9-12)26-2)16(24)20-17-21-22-18(28-17)27-10-15(23)19-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,19,23)(H,20,21,24)
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Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM76397
PNG
((7-Methyl-2-thioxo-2H-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES Cc1ccn2n(C(=O)c3ccccc3)c(=S)nc2c1
Show InChI InChI=1S/C14H11N3OS/c1-10-7-8-16-12(9-10)15-14(19)17(16)13(18)11-5-3-2-4-6-11/h2-9H,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97199
PNG
(MLS000522615 | N-(4-ethylphenyl)-3-pyrazolo[1,5-a]...)
Show SMILES CCc1ccc(NC(=O)c2cnn3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O/c1-2-12-6-8-13(9-7-12)18-16(20)14-11-17-19-10-4-3-5-15(14)19/h3-11H,2H2,1H3,(H,18,20)
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Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97355
PNG
(5-(1,3-benzodioxol-5-yl)-N-phenyl-1,3,4-oxadiazol-...)
Show SMILES C1Oc2ccc(cc2O1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H11N3O3/c1-2-4-11(5-3-1)16-15-18-17-14(21-15)10-6-7-12-13(8-10)20-9-19-12/h1-8H,9H2,(H,16,18)
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Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM39071
PNG
((Z)-1-(1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)-2...)
Show SMILES Fc1cccc(c1)N=CCC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H12FNO3/c17-12-2-1-3-13(9-12)18-7-6-14(19)11-4-5-15-16(8-11)21-10-20-15/h1-5,7-9H,6,10H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM49856
PNG
((Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)-2-...)
Show SMILES Brc1ccccc1N=CCC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H12BrNO3/c17-12-3-1-2-4-13(12)18-8-7-14(19)11-5-6-15-16(9-11)21-10-20-15/h1-6,8-9H,7,10H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97339
PNG
(2-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazol...)
Show SMILES C1Oc2ccc(C=Cc3nc4ccccc4o3)cc2O1
Show InChI InChI=1S/C16H11NO3/c1-2-4-13-12(3-1)17-16(20-13)8-6-11-5-7-14-15(9-11)19-10-18-14/h1-9H,10H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97307
PNG
((1S,2E,7S,10E,12R,13R,15S)-12,15-dihydroxy-7-methy...)
Show SMILES C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
Show InChI InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM50014875
PNG
((S)-7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7...)
Show SMILES COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97333
PNG
(2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino...)
Show SMILES CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12
Show InChI InChI=1S/C27H33NO8S/c1-6-34-14-23(30)28-19-10-8-16-12-21(36-24(31)15-35-7-2)26(32-3)27(33-4)25(16)17-9-11-22(37-5)20(29)13-18(17)19/h9,11-13,19H,6-8,10,14-15H2,1-5H3,(H,28,30)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM93823
PNG
((E)-3-(4-methylanilino)-1-thiophen-2-yl-2-propen-1...)
Show SMILES Cc1ccc(cc1)N=CCC(=O)c1cccs1
Show InChI InChI=1S/C14H13NOS/c1-11-4-6-12(7-5-11)15-9-8-13(16)14-3-2-10-17-14/h2-7,9-10H,8H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97201
PNG
(3-(4,5,6,7-Tetrahydro-benzothiazol-2-yl)-chromen-2...)
Show SMILES O=c1oc2ccccc2cc1-c1nc2CCCCc2s1
Show InChI InChI=1S/C16H13NO2S/c18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15/h1,3,5,7,9H,2,4,6,8H2
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM96066
PNG
(1,3-benzothiazol-2-yl-(cycloheptylideneamino)amine...)
Show SMILES C1CCCC(CC1)=NNc1nc2ccccc2s1
Show InChI InChI=1S/C14H17N3S/c1-2-4-8-11(7-3-1)16-17-14-15-12-9-5-6-10-13(12)18-14/h5-6,9-10H,1-4,7-8H2,(H,15,17)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97234
PNG
(MLS001167414 | N-(4,6-dimethyl-1,3-benzothiazol-2-...)
Show SMILES Cc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1
Show InChI InChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM39016
PNG
(2-(4-methoxyphenyl)-6,7-dihydropyrrolo[1,2-a]thien...)
Show SMILES COc1ccc(cc1)-c1cc2nc3CCCn3c(=O)c2s1
Show InChI InChI=1S/C16H14N2O2S/c1-20-11-6-4-10(5-7-11)13-9-12-15(21-13)16(19)18-8-2-3-14(18)17-12/h4-7,9H,2-3,8H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97297
PNG
((3-fluoranyl-4-methoxy-phenyl)methyl 2-morpholin-4...)
Show SMILES COc1ccc(COC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C19H19FN2O6/c1-26-18-5-2-13(10-16(18)20)12-28-19(23)15-11-14(22(24)25)3-4-17(15)21-6-8-27-9-7-21/h2-5,10-11H,6-9,12H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97203
PNG
(2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid [...)
Show SMILES COc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C25H22BrNO5/c1-31-24-10-6-5-9-20(24)27-21(15-22(28)17-7-3-2-4-8-17)25(30)32-16-23(29)18-11-13-19(26)14-12-18/h2-14,21,27H,15-16H2,1H3
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97320
PNG
((E,7S)-N-[(E,2E)-2-(chloranylmethylidene)-4-methox...)
Show SMILES CCCCCCC[C@@H](C\C=C\CCC(=O)N(C)C\C(C\C(OC)=C/C(=O)N1CC(OC)=CC1=O)=C\Cl)OC
Show InChI InChI=1S/C29H45ClN2O6/c1-6-7-8-9-11-14-24(36-3)15-12-10-13-16-27(33)31(2)21-23(20-30)17-25(37-4)18-28(34)32-22-26(38-5)19-29(32)35/h10,12,18-20,24H,6-9,11,13-17,21-22H2,1-5H3/b12-10+,23-20+,25-18+/t24-/m0/s1
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM88837
PNG
(2-[(E)-2-(3-methyl-2-thienyl)vinyl]quinoline | 2-[...)
Show SMILES Cc1ccsc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C16H13NS/c1-12-10-11-18-16(12)9-8-14-7-6-13-4-2-3-5-15(13)17-14/h2-11H,1H3/b9-8+
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97208
PNG
(2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,5...)
Show SMILES Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1cccs1
Show InChI InChI=1S/C15H16N4OS3/c1-9-6-12(10(2)19(9)7-11-4-3-5-21-11)13(20)8-22-15-18-17-14(16)23-15/h3-6H,7-8H2,1-2H3,(H2,16,17)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97210
PNG
(MLS000676902 | N-[2-(1-cyclohexen-1-yl)ethyl]-4-me...)
Show SMILES COc1ccc(cc1)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C16H21NO2/c1-19-15-9-7-14(8-10-15)16(18)17-12-11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM38872
PNG
(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a>278n/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 0 group B member 1


(Homo sapiens)
BDBM95897
PNG
(MLS000771874 | N-[(E)-1,3-benzodioxol-5-ylmethylid...)
Show SMILES C(N=Nc1ccc2ccccc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O2/c1-2-4-14-13(3-1)6-8-17(19-14)20-18-10-12-5-7-15-16(9-12)22-11-21-15/h1-9H,10-11H2
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n/an/a>278n/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 0 group B member 1


(Homo sapiens)
BDBM97215
PNG
(MLS000711397 | N-[2-(4-methoxyphenyl)-6-methyl-5-b...)
Show SMILES COc1ccc(cc1)-n1nc2cc(C)c(NC(C)=O)cc2n1
Show InChI InChI=1S/C16H16N4O2/c1-10-8-15-16(9-14(10)17-11(2)21)19-20(18-15)12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,17,21)
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n/an/a>278n/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 0 group B member 1


(Homo sapiens)
BDBM97318
PNG
(3-methyl-2-thiophenecarboxylic acid [2-oxo-2-(1,2,...)
Show SMILES Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C)c1C
Show InChI InChI=1S/C15H17NO3S/c1-9-5-6-20-14(9)15(18)19-8-13(17)12-7-10(2)16(4)11(12)3/h5-7H,8H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97217
PNG
(MLS000764691 | N-(5-isopropyl-1,3,4-thiadiazol-2-y...)
Show SMILES CC(C)c1nnc(NC(=O)c2ccc3OCOc3c2)s1
Show InChI InChI=1S/C13H13N3O3S/c1-7(2)12-15-16-13(20-12)14-11(17)8-3-4-9-10(5-8)19-6-18-9/h3-5,7H,6H2,1-2H3,(H,14,16,17)
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n/an/a>278n/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 0 group B member 1


(Homo sapiens)
BDBM38872
PNG
(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 386n/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 0 group B member 1


(Homo sapiens)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 747n/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 0 group B member 1


(Homo sapiens)
BDBM57940
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one oxime | 5...)
Show SMILES O=Nc1c2ccccc2c2n[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c21-20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10,18H
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n/an/a>833n/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 0 group B member 1


(Homo sapiens)
BDBM97233
PNG
(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
Show InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
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n/an/a>833n/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 0 group B member 1


(Homo sapiens)
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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n/an/a>834n/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 0 group B member 1


(Homo sapiens)
BDBM97222
PNG
(2-(3-aminophenyl)-6-imidazo[1,2-a]pyridinecarboxyl...)
Show SMILES COC(=O)c1ccc2nc(cn2c1)-c1cccc(N)c1
Show InChI InChI=1S/C15H13N3O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-9H,16H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97304
PNG
(12-keto-N-(6-methyl-2-pyridyl)-7,8,9,10-tetrahydro...)
Show SMILES Cc1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)n1
Show InChI InChI=1S/C20H20N4O2/c1-13-6-5-7-17(21-13)23-19(25)14-9-10-15-16(12-14)22-18-8-3-2-4-11-24(18)20(15)26/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,21,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97351
PNG
(MLS003124330 | N-[6-(4-methylphenyl)-3-(3,4,5-trim...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2c(NC=O)cc(cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C24H23N3O4/c1-15-5-7-16(8-6-15)18-9-19(26-14-28)24-25-12-20(27(24)13-18)17-10-21(29-2)23(31-4)22(11-17)30-3/h5-14H,1-4H3,(H,26,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM49371
PNG
(1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic...)
Show SMILES BrC(C=NNC(=O)c1[nH]nc2CCCc12)=Cc1ccccc1
Show InChI InChI=1S/C16H15BrN4O/c17-12(9-11-5-2-1-3-6-11)10-18-21-16(22)15-13-7-4-8-14(13)19-20-15/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97207
PNG
((Z)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]-2-(2-p...)
Show SMILES CN(CCC#N)c1ccc(\C=C(/C#N)c2ccccn2)cc1
Show InChI InChI=1S/C18H16N4/c1-22(12-4-10-19)17-8-6-15(7-9-17)13-16(14-20)18-5-2-3-11-21-18/h2-3,5-9,11,13H,4,12H2,1H3/b16-13+
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n/an/a>834n/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 0 group B member 1


(Homo sapiens)
BDBM97226
PNG
(MLS001018585 | N-[4-(trifluoromethylsulfanyl)pheny...)
Show SMILES FC(F)(F)Sc1ccc(NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)18-12(19)11-3-1-2-8-17-11/h1-8H,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97228
PNG
((2-methoxyphenyl)-[5-(tetrahydropyran-2-ylmethylth...)
Show SMILES COc1ccccc1Nc1nnc(SCC2CCCCO2)s1
Show InChI InChI=1S/C15H19N3O2S2/c1-19-13-8-3-2-7-12(13)16-14-17-18-15(22-14)21-10-11-6-4-5-9-20-11/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM43412
PNG
((E)-3-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxy-1-adam...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C23CC4CC(CC(O)(C4)C2)C3)cc1OC
Show InChI InChI=1S/C27H31NO4/c1-31-23-9-3-18(12-24(23)32-2)4-10-25(29)28-22-7-5-21(6-8-22)26-13-19-11-20(14-26)16-27(30,15-19)17-26/h3-10,12,19-20,30H,11,13-17H2,1-2H3,(H,28,29)/b10-4+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM49824
PNG
(3-chloranyl-4-fluoranyl-N-pyridin-2-yl-1-benzothio...)
Show SMILES Fc1cccc2sc(C(=O)Nc3ccccn3)c(Cl)c12
Show InChI InChI=1S/C14H8ClFN2OS/c15-12-11-8(16)4-3-5-9(11)20-13(12)14(19)18-10-6-1-2-7-17-10/h1-7H,(H,17,18,19)
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n/an/a>834n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM50014872
PNG
((-)-demecolcine | (S)-1,2,3,10-tetramethoxy-7-meth...)
Show SMILES CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12
Show InChI InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM97206
PNG
((E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-...)
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)\C=C\c1ccco1
Show InChI InChI=1S/C16H14N2O2S/c17-10-13-12-5-1-2-6-14(12)21-16(13)18-15(19)8-7-11-4-3-9-20-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)/b8-7+
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n/an/a 1.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM69266
PNG
(MLS000419199 | N-[(4-ethylphenyl)methylideneamino]...)
Show SMILES CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C14H14N6/c1-2-10-3-5-11(6-4-10)7-19-20-14-12-13(16-8-15-12)17-9-18-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18)/b20-19+
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n/an/a 2.09E+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 0 group B member 1


(Homo sapiens)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 2.15E+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 0 group B member 1


(Homo sapiens)
BDBM91138
PNG
(MLS001240093 | N-(3-aminocarbonyl-5,6,7,8-tetrahyd...)
Show SMILES Cn1ccc(n1)C(=O)Nc1sc2CCCCCc2c1C(N)=O
Show InChI InChI=1S/C15H18N4O2S/c1-19-8-7-10(18-19)14(21)17-15-12(13(16)20)9-5-3-2-4-6-11(9)22-15/h7-8H,2-6H2,1H3,(H2,16,20)(H,17,21)
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antibodypedia
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AffyNet 
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PC cid
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PCBioAssay
n/an/a>2.50E+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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