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Compile Data Set for Download or QSAR

Found 41 hits of ec50 data for polymerid = 5264   
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
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM61066
PNG
(14-benzoylacenaphtho[1',2':4,5]pyrido[2,1-...)
Show SMILES [Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
Show InChI InChI=1S/C28H16NOS.BrH/c30-28(18-8-2-1-3-9-18)27-26-20-13-7-11-17-10-6-12-19(25(17)20)21(26)16-24-29(27)22-14-4-5-15-23(22)31-24;/h1-16H;1H/q+1;/p-1
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n/an/an/an/a 60n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM55008
PNG
(CEFSULODIN SODIUM SALT | MLS000069560 | SMR0000587...)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p-1/t15-,17?,21-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM61723
PNG
((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C23H30N4O4/c1-4-5-6-10-20(28)27-14-23(13-19(27)21(24)29)12-18(26-31-23)16-8-7-9-17(11-16)25-22(30)15(2)3/h7-9,11,19H,2,4-6,10,12-14H2,1,3H3,(H2,24,29)(H,25,30)/t19-,23?/m0/s1
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n/an/an/an/a 110n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM57870
PNG
((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 120n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM54768
PNG
(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Show SMILES CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
Show InChI InChI=1S/C11H24N2O5S/c1-11(2,9-19(16,17)18)12-10(15)5-6-13(3,4)7-8-14/h14H,5-9H2,1-4H3,(H-,12,15,16,17,18)
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n/an/an/an/a 670n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79508
PNG
(3-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)meth...)
Show SMILES COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C17H18BrNO4S/c1-23-15-6-2-13(3-7-15)12-19-17(20)10-11-24(21,22)16-8-4-14(18)5-9-16/h2-9H,10-12H2,1H3,(H,19,20)
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n/an/an/an/a 700n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79512
PNG
(MLS001098232 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C25H25N5O3/c1-2-13-29(24(32)19-11-8-12-20(16-19)28-14-6-7-15-28)21-22(26)30(25(33)27-23(21)31)17-18-9-4-3-5-10-18/h3-12,14-16H,2,13,17,26H2,1H3,(H,27,31,33)
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n/an/an/an/a 720n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50714
PNG
((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1
Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1
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n/an/an/an/a 730n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM48719
PNG
(4-[2-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H20N4O5/c1-15-4-8-17(9-5-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-3-2-12-27(19)18-10-6-16(7-11-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13+
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n/an/an/an/a 1.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79502
PNG
((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C32H32N4O4/c1-21(2)31(39)34-25-15-9-14-24(16-25)27-18-32(40-35-27)19-28(30(33)38)36(20-32)29(37)17-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-16,26,28H,1,17-20H2,2H3,(H2,33,38)(H,34,39)/t28-,32?/m0/s1
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n/an/an/an/a 1.94E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM31759
PNG
(2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-
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n/an/an/an/a 2.39E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79504
PNG
(2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl...)
Show SMILES CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Show InChI InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/b16-10-
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n/an/an/an/a 3.05E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM47934
PNG
(MLS000101692 | N-[2-(2-methyl-1-indolyl)ethyl]-2-t...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1cccs1
Show InChI InChI=1S/C16H16N2OS/c1-12-11-13-5-2-3-6-14(13)18(12)9-8-17-16(19)15-7-4-10-20-15/h2-7,10-11H,8-9H2,1H3,(H,17,19)
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n/an/an/an/a 3.50E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM72975
PNG
(6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...)
Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1
Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)
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n/an/an/an/a 3.62E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79513
PNG
(2-(3-bromophenylcarbamoyl)cyclohexanecarboxylic ac...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)
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n/an/an/an/a 3.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79503
PNG
((8S)-3-[3-(caproylamino)phenyl]-7-p-anisoyl-1-oxa-...)
Show SMILES CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1
Show InChI InChI=1S/C27H32N4O5/c1-3-4-5-9-24(32)29-20-8-6-7-19(14-20)22-15-27(36-30-22)16-23(25(28)33)31(17-27)26(34)18-10-12-21(35-2)13-11-18/h6-8,10-14,23H,3-5,9,15-17H2,1-2H3,(H2,28,33)(H,29,32)/t23-,27?/m0/s1
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n/an/an/an/a 4.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79496
PNG
(2-[3-[butyl(dimethyl)ammonio]propanoylamino]-2-met...)
Show SMILES CCCC[N+](C)(C)CCC(=O)NC(C)(C)CS([O-])(=O)=O
Show InChI InChI=1S/C13H28N2O4S/c1-6-7-9-15(4,5)10-8-12(16)14-13(2,3)11-20(17,18)19/h6-11H2,1-5H3,(H-,14,16,17,18,19)
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n/an/an/an/a 4.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79507
PNG
(3-(4-bromophenyl)sulfonyl-N-[4-(diethylamino)-2-me...)
Show SMILES CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1
Show InChI InChI=1S/C20H25BrN2O3S/c1-4-23(5-2)17-8-11-19(15(3)14-17)22-20(24)12-13-27(25,26)18-9-6-16(21)7-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
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n/an/an/an/a 5.01E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79511
PNG
(MLS001116571 | N-(2-chlorobenzyl)-3-[(3-keto-4H-1,...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C19H19ClN2O4S2/c1-12(19(24)21-9-13-4-2-3-5-15(13)20)11-28(25,26)14-6-7-17-16(8-14)22-18(23)10-27-17/h2-8,12H,9-11H2,1H3,(H,21,24)(H,22,23)
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n/an/an/an/a 7.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM53121
PNG
((5E)-5-(2-furanylmethylidene)-1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C16H12N2O4S/c1-21-11-6-4-10(5-7-11)18-15(20)13(14(19)17-16(18)23)9-12-3-2-8-22-12/h2-9H,1H3,(H,17,19,23)
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n/an/an/an/a 7.83E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79499
PNG
(MLS001004100 | N-[1-oxo-2-[(4-oxo-3-phenyl-2-quina...)
Show SMILES O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O
Show InChI InChI=1S/C22H20N4O4S/c27-18(13-25-12-6-11-20(25)29)24-19(28)14-31-22-23-17-10-5-4-9-16(17)21(30)26(22)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,24,27,28)
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n/an/an/an/a 9.42E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM51787
PNG
(2-chloranyl-4-[5-[(1-oxidanylidene-[1,3]thiazolo[3...)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H11ClN2O4S/c22-14-9-11(5-7-13(14)20(26)27)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)
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n/an/an/an/a 9.71E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79501
PNG
((8S)-7-(3,5-dinitrobenzoyl)-3-(3-methacrylamidophe...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
Show InChI InChI=1S/C24H22N6O8/c1-13(2)22(32)26-16-5-3-4-14(6-16)19-10-24(38-27-19)11-20(21(25)31)28(12-24)23(33)15-7-17(29(34)35)9-18(8-15)30(36)37/h3-9,20H,1,10-12H2,2H3,(H2,25,31)(H,26,32)
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n/an/an/an/a 1.06E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79510
PNG
(3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-methylphe...)
Show SMILES Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C14H14BrNO3S2/c1-10-4-2-3-5-11(10)16-13(17)8-9-21(18,19)14-7-6-12(15)20-14/h2-7H,8-9H2,1H3,(H,16,17)
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n/an/an/an/a 1.11E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79500
PNG
((8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-(ph...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)22(30)26-18-10-6-9-17(11-18)19-12-24(32-27-19)13-20(21(25)29)28(14-24)23(31)16-7-4-3-5-8-16/h3-11,20H,1,12-14H2,2H3,(H2,25,29)(H,26,30)/t20-,24?/m1/s1
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n/an/an/an/a 1.25E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79514
PNG
(Erythrosin B | MLS001335987 | SMR000875321 | cid_2...)
Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12
Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2
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n/an/an/an/a 1.47E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM31715
PNG
(3-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-me...)
Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O
Show InChI InChI=1S/C18H14N2O4/c1-12-16(9-3-7-15-8-4-10-24-15)17(21)20(19-12)14-6-2-5-13(11-14)18(22)23/h2-11,19H,1H2,(H,22,23)
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n/an/an/an/a 1.48E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79509
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-nitro-phe...)
Show SMILES COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15BrN2O6S/c1-25-15-7-4-12(19(21)22)10-14(15)18-16(20)8-9-26(23,24)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
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n/an/an/an/a 1.50E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM54944
PNG
(3-[(E)-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dih...)
Show SMILES Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H11ClN2O9S2/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24,25)(H,26,27,28)/p-2
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n/an/an/an/a 1.63E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM64129
PNG
(MLS001202278 | N-(2-ethylphenyl)-3-(4-methoxypheny...)
Show SMILES CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C18H21NO4S/c1-3-14-6-4-5-7-17(14)19-18(20)12-13-24(21,22)16-10-8-15(23-2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
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n/an/an/an/a 1.78E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50236
PNG
(1-Chloro-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-...)
Show SMILES OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17ClN2O6S/c21-16-14(30-13-7-2-1-6-12(13)23(28)29)8-11-15(16)9-4-3-5-10(19(24)25)17(9)22-18(11)20(26)27/h1-7,11,14-16,18,22H,8H2,(H,24,25)(H,26,27)
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n/an/an/an/a 1.94E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50715
PNG
((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1
Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1
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n/an/an/an/a 2.13E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM48373
PNG
(MLS000081944 | N-(2-furanylmethyl)-2-[(6-methyl-4-...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C12H13N3O3S/c1-8-5-10(16)15-12(14-8)19-7-11(17)13-6-9-3-2-4-18-9/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16)
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n/an/an/an/a 2.21E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM34235
PNG
(2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl...)
Show SMILES CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
Show InChI InChI=1S/C15H19ClN4O4S/c1-5-24-13(22)9(3)25-15-17-11-10(20(15)7-6-8(2)16)12(21)18-14(23)19(11)4/h6,9H,5,7H2,1-4H3,(H,18,21,23)/b8-6-
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n/an/an/an/a 2.21E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79497
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrol...)
Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C13H13NO5/c15-12-5-8(13(16)17)7-14(12)9-1-2-10-11(6-9)19-4-3-18-10/h1-2,6,8H,3-5,7H2,(H,16,17)
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n/an/an/an/a 3.09E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM53267
PNG
(4-[2-[(E)-[2,4-bis(oxidanylidene)-3-(2-oxidanylide...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C21H19N3O5S/c25-18(22-9-1-2-10-22)13-24-19(26)17(30-21(24)29)12-16-4-3-11-23(16)15-7-5-14(6-8-15)20(27)28/h3-8,11-12H,1-2,9-10,13H2,(H,27,28)/b17-12+
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n/an/an/an/a 3.30E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM54754
PNG
(3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...)
Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)
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n/an/an/an/a 3.33E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79498
PNG
(2-(4-pyrrol-1-ylphenyl)acetic acid | 2-(4-pyrrol-1...)
Show SMILES OC(=O)Cc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C12H11NO2/c14-12(15)9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2,(H,14,15)
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n/an/an/an/a 3.62E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79505
PNG
(6-({[2-(3,4-diethoxyphenyl)ethyl]amino}carbonyl)-4...)
Show SMILES CCOc1ccc(CCNC(=O)C2CC(C)=CCC2C(O)=O)cc1OCC
Show InChI InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)
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n/an/an/an/a 5.13E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM79506
PNG
(3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propana...)
Show SMILES CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C17H18BrNO3S/c1-2-13-4-3-5-15(12-13)19-17(20)10-11-23(21,22)16-8-6-14(18)7-9-16/h3-9,12H,2,10-11H2,1H3,(H,19,20)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 5.83E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50716
PNG
((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C31H30N4O4/c1-20(2)29(37)33-24-15-9-14-23(16-24)25-17-31(39-34-25)18-26(28(32)36)35(19-31)30(38)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-16,26-27H,1,17-19H2,2H3,(H2,32,36)(H,33,37)/t26-,31?/m1/s1
PDB
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UniChem

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AffyNet 
PCBioAssay
n/an/an/an/a 8.59E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair