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Compile Data Set for Download or QSAR

Found 232 hits Enz. Inhib. hit(s) with Target = 'COUP transcription factor 2 isoform a' 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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100257
PNG
(MLS002703047 | SMR001566854 | Verrucarin A 9,10-ep...)
Show SMILES CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1O)C2(C)C31CO1
Show InChI InChI=1S/C27H34O10/c1-15-8-11-32-18(28)6-4-5-7-19(29)35-16-12-17-27(14-34-27)25(16,3)26(13-33-23(31)20(15)30)10-9-24(2)21(37-24)22(26)36-17/h4-7,15-17,20-22,30H,8-14H2,1-3H3
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n/an/a>4.27n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100261
PNG
(MLS002702133 | SMR001565698 | cid_431377)
Show SMILES CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1OC(C)=O)C2(C)C31CO1
Show InChI InChI=1S/C29H36O11/c1-16-9-12-34-20(31)7-5-6-8-21(32)38-18-13-19-29(15-36-29)27(18,4)28(14-35-25(33)22(16)37-17(2)30)11-10-26(3)23(40-26)24(28)39-19/h5-8,16,18-19,22-24H,9-15H2,1-4H3
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n/an/a 7.64n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM89484
PNG
(MLS002702998 | Ossamycin | SMR001566807 | cid_5351...)
Show SMILES CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC4CCC(C(C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1
Show InChI InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22+/t30-,31+,32?,33+,34+,35+,36?,37-,38-,40?,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1
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n/an/a>13.0n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM93927
PNG
(MLS002702060 | SMR001565631 | cid_299645)
Show SMILES COC(=O)C12OCC34C1C(OC(=O)C=C(C)C)C(=O)OC3CC1C(C)=C(O)C(=O)CC1(C)C4C(O)C2O
Show InChI InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3
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n/an/a 22.3n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM58401
PNG
(2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloro...)
Show SMILES CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1
Show InChI InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
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n/an/a 61.9n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM62271
PNG
(MLS-0378444.0001 | N-[1-(3,4-dimethylphenyl)-4,5,6...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-8-9-16(10-14(13)2)26-19-7-5-6-18(17(19)12-22-26)23-21(27)20-11-15(3)24-25(20)4/h8-12,18H,5-7H2,1-4H3,(H,23,27)
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n/an/a>117n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM62269
PNG
(MLS-0384970.0001 | N-[1-(2,3-dimethylphenyl)-4,5,6...)
Show SMILES CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28)
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n/an/a>117n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100251
PNG
((+)-Emetine dihydrochloride hydrate | (2S,3R)-2-[[...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25?/m0/s1
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n/an/a 209n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM93498
PNG
(4-[2-(3,5-dimethyl-5-oxidanyl-2-oxidanylidene-cycl...)
Show SMILES CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O
Show InChI InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)
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n/an/a 360n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97173
PNG
(Dihydrorotenone | MLS002667630 | SMR001557390 | ci...)
Show SMILES COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)C
Show InChI InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3
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n/an/a 519n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM37434
PNG
(2-[(1-bicyclo[2.2.1]hept-2-yl-1H-tetrazol-5-yl)thi...)
Show SMILES O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12
Show InChI InChI=1S/C19H20N6OS/c26-18(21-16-7-8-20-15-4-2-1-3-14(15)16)11-27-19-22-23-24-25(19)17-10-12-5-6-13(17)9-12/h1-4,7-8,12-13,17H,5-6,9-11H2,(H,20,21,26)
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n/an/a 568n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97161
PNG
((2Z)-2-[[1-(2-methoxyphenyl)-2,6-dimethyl-4-pyridi...)
Show SMILES COc1ccccc1-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
Show InChI InChI=1S/C23H23N2OS/c1-16-13-18(15-23-24(3)20-10-6-8-12-22(20)27-23)14-17(2)25(16)19-9-5-7-11-21(19)26-4/h5-15H,1-4H3/q+1
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n/an/a 617n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM54484
PNG
(MLS001122505 | N-[1-(2,3-dimethylphenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27)
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n/an/a 628n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100216
PNG
((3aS,5S,9aS)-5-(1-benzofuran-2-yl)-2-phenyl-3a,4,5...)
Show SMILES O=C1N(C[C@@H]2C[C@H](N3CCC[C@@]123)c1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C23H22N2O2/c26-22-23-11-6-12-25(23)19(21-13-16-7-4-5-10-20(16)27-21)14-17(23)15-24(22)18-8-2-1-3-9-18/h1-5,7-10,13,17,19H,6,11-12,14-15H2/t17-,19-,23-/m0/s1
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n/an/a 737n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM37016
PNG
(MLS000056239 | N-[2-[2-[2,5-dimethyl-1-(2-thenyl)p...)
Show SMILES CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
Show InChI InChI=1S/C21H22N2O3S/c1-14-11-18(15(2)23(14)12-17-7-6-10-27-17)20(25)13-26-21-9-5-4-8-19(21)22-16(3)24/h4-11H,12-13H2,1-3H3,(H,22,24)
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n/an/a 807n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM63645
PNG
(4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxidanylidene...)
Show SMILES C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9+,11+,12+/m0/s1
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n/an/a 1.03E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM37025
PNG
(4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]t...)
Show SMILES Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1
Show InChI InChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2
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n/an/a 1.13E+3n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
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n/an/a 1.25E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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n/an/a 1.32E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
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n/an/a 1.47E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM54524
PNG
(MLS001101361 | N-[1-(2-fluorophenyl)-4,5,6,7-tetra...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25)
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n/an/a 1.51E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM79788
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100275
PNG
((4-methoxyphenyl)-(1-thieno[2,3-d]pyrimidin-4-yl-4...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)c1ncnc2sccc12
Show InChI InChI=1S/C19H19N3O2S/c1-24-15-4-2-13(3-5-15)17(23)14-6-9-22(10-7-14)18-16-8-11-25-19(16)21-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3
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n/an/a 1.77E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/a 1.79E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97108
PNG
(MLS001007488 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...)
Show SMILES COc1ccc(CCNc2ncnc3sccc23)cc1OC
Show InChI InChI=1S/C16H17N3O2S/c1-20-13-4-3-11(9-14(13)21-2)5-7-17-15-12-6-8-22-16(12)19-10-18-15/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18,19)
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n/an/a 1.97E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97192
PNG
(2-amino-N-(4-phenylbenzyl)quinoline-3-carboxamide ...)
Show SMILES Nc1nc2ccccc2cc1C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27)
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n/an/a 2.01E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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n/an/a 2.02E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97164
PNG
(MLS002159131 | N-[(3,4-dimethoxyphenyl)methyl]-N-m...)
Show SMILES COc1ccc(CN(C)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCN(C)CC2)cc1OC
Show InChI InChI=1S/C21H28N4O6S/c1-22-9-11-24(12-10-22)32(28,29)17-6-7-18(19(14-17)25(26)27)23(2)15-16-5-8-20(30-3)21(13-16)31-4/h5-8,13-14H,9-12,15H2,1-4H3
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n/an/a 2.05E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
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n/an/a 2.21E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM42042
PNG
(4-Ethoxy-N-pyridin-4-ylmethyl-benzenesulfonamide |...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-9-15-10-8-12/h3-10,16H,2,11H2,1H3
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n/an/a 2.27E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97096
PNG
(4-chloranyl-3-ethoxy-N-(pyridin-4-ylmethyl)benzene...)
Show SMILES CCOc1cc(ccc1Cl)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
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n/an/a 2.29E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM64723
PNG
((1-Phenyl-ethyl)-quinazolin-4-yl-amine | 1-phenyle...)
Show SMILES CC(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H15N3/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-11-18-16/h2-12H,1H3,(H,17,18,19)
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n/an/a 2.41E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100245
PNG
(2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-...)
Show SMILES COc1cc(NC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H25NO8/c1-22(2)10-15(25)20-14(24)8-13(9-16(20)31-22)30-11-19(26)23-12-6-17(27-3)21(29-5)18(7-12)28-4/h6-9,24H,10-11H2,1-5H3,(H,23,26)
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n/an/a 2.54E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM89401
PNG
(MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...)
Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1
Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2
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n/an/a 2.58E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97145
PNG
(MLS001028746 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C26H29N5O4/c1-16-6-8-20(9-7-16)31-18(3)24-17(2)28-30(26(33)25(24)29-31)15-23(32)27-13-12-19-14-21(34-4)10-11-22(19)35-5/h6-11,14H,12-13,15H2,1-5H3,(H,27,32)
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n/an/a 2.61E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM68101
PNG
(2-(4-tert-butylphenyl)-N'-[(Z)-2-pyrrolylidenemeth...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)14-8-6-13(7-9-14)16-11-17(16)18(23)22-21-12-15-5-4-10-20-15/h4-10,12,16-17,20H,11H2,1-3H3,(H,22,23)/b21-12+
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n/an/a 2.66E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100201
PNG
(MLS000103799 | N-([1,3]dioxolo[4,5-f][1,3]benzothi...)
Show SMILES CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1
Show InChI InChI=1S/C21H21N3O6S2/c1-24(11-14-3-2-8-28-14)32(26,27)15-6-4-13(5-7-15)20(25)23-21-22-16-9-17-18(30-12-29-17)10-19(16)31-21/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,22,23,25)
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n/an/a 2.68E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97170
PNG
(2-[6-(benzylamino)purin-9-yl]-1-[4-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1
Show InChI InChI=1S/C28H33N7O/c1-20-13-21(2)24(22(3)14-20)16-33-9-11-34(12-10-33)25(36)17-35-19-32-26-27(30-18-31-28(26)35)29-15-23-7-5-4-6-8-23/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,29,30,31)
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n/an/a 2.71E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM75744
PNG
((2E)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-13-10-16(3)14-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 2.75E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97129
PNG
(MLS000833548 | N-(2,4-difluorophenyl)-4-[5-(triflu...)
Show SMILES Fc1ccc(NC(=S)N2CCCN(CC2)c2ccc(cn2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H17F5N4S/c19-13-3-4-15(14(20)10-13)25-17(28)27-7-1-6-26(8-9-27)16-5-2-12(11-24-16)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,25,28)
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n/an/a 3.07E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM36871
PNG
(MLS000027766 | N-[4-(1-Methanesulfonyl-2-methyl-2,...)
Show SMILES CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2cccs2)n1
Show InChI InChI=1S/C19H19N3O3S3/c1-12-8-14-9-13(5-6-17(14)22(12)28(2,24)25)16-11-27-19(20-16)21-18(23)10-15-4-3-7-26-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21,23)
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n/an/a 3.11E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100218
PNG
(6-chloranyl-N-[3-[(4-methoxyphenyl)sulfamoyl]pheny...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1
Show InChI InChI=1S/C19H16ClN3O4S/c1-27-16-8-6-14(7-9-16)23-28(25,26)17-4-2-3-15(11-17)22-19(24)13-5-10-18(20)21-12-13/h2-12,23H,1H3,(H,22,24)
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n/an/a 3.21E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM97069
PNG
(MLS000549889 | N-methyl-N-[(1,3,5-trimethyl-1H-pyr...)
Show SMILES CN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21N3O2S/c1-13-18(14(2)21(4)19-13)12-20(3)24(22,23)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12H2,1-4H3
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n/an/a 3.25E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM76151
PNG
(4-[11-[[(2S)-2-[4-[5-(tert-butoxycarbonylamino)pen...)
Show SMILES CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H63N7O7/c1-34(2,3)48-32(46)37-21-17-13-14-18-28-26-42(39-38-28)29(27-43)31(45)36-20-16-12-10-8-7-9-11-15-19-30(44)40-22-24-41(25-23-40)33(47)49-35(4,5)6/h26,29,43H,7-25,27H2,1-6H3,(H,36,45)(H,37,46)/t29-/m0/s1
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n/an/a 3.28E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 3.33E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM89292
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimeth...)
Show SMILES Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C
Show InChI InChI=1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
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n/an/a 3.38E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM58378
PNG
(3-[2,5-bis(4-methoxyphenyl)-1-benzofuran-3-yl]prop...)
Show SMILES COc1ccc(cc1)-c1oc2ccc(cc2c1C#CCO)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H20O4/c1-27-20-10-5-17(6-11-20)19-9-14-24-23(16-19)22(4-3-15-26)25(29-24)18-7-12-21(28-2)13-8-18/h5-14,16,26H,15H2,1-2H3
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n/an/a 3.38E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM42411
PNG
((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...)
Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12
Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3
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n/an/a 3.52E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100241
PNG
(MLS001072485 | N-[1-(2,4-difluorophenyl)-4,5,6,7-t...)
Show SMILES Cc1ccc(cn1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
Show InChI InChI=1S/C20H18F2N4O/c1-12-5-6-13(10-23-12)20(27)25-17-3-2-4-18-15(17)11-24-26(18)19-8-7-14(21)9-16(19)22/h5-11,17H,2-4H2,1H3,(H,25,27)
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n/an/a 3.66E+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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM100250
PNG
(MLS001159328 | N-[4-(3,4-dimethoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1
Show InChI InChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
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n/an/a 3.82E+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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