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Compile Data Set for Download or QSAR

Found 349 hits of ec50 data for polymerid = 50004793   
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 coactivator 1 isoform 1


(Homo sapiens)
BDBM42995
PNG
(2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...)
Show SMILES Nc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)
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n/an/an/an/a 2.94E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43070
PNG
(MLS000560834 | N'-(2-naphthalen-2-yloxyacetyl)-2-p...)
Show SMILES O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1
Show InChI InChI=1S/C20H18N2O3/c23-19(12-15-6-2-1-3-7-15)21-22-20(24)14-25-18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13H,12,14H2,(H,21,23)(H,22,24)
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n/an/an/an/a 6.08E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42891
PNG
((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...)
Show SMILES COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
Show InChI InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3
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n/an/an/an/a 7.89E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42932
PNG
(2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-3,4-dimet...)
Show SMILES CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
Show InChI InChI=1S/C17H20N2O5S/c1-6-24-16(21)14-10(2)19(3)17(25-14)18-15(20)11-7-8-12(22-4)13(9-11)23-5/h7-9H,6H2,1-5H3/b18-17+
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n/an/an/an/a 8.10E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42903
PNG
(MLS000040305 | N-[(1S)-1-[5-[(3-fluorobenzyl)thio]...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
Show InChI InChI=1S/C18H24FN3O3S/c1-11(2)14(20-16(23)25-18(3,4)5)15-21-22-17(24-15)26-10-12-7-6-8-13(19)9-12/h6-9,11,14H,10H2,1-5H3,(H,20,23)/t14-/m0/s1
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n/an/an/an/a 8.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM33694
PNG
(2-[[1-(3,5-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]...)
Show SMILES COc1cc(OC)cc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-23-24(19)15-8-16(27-2)10-17(9-15)28-3/h4-10H,11H2,1-3H3,(H,20,26)
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n/an/an/an/a 8.56E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43021
PNG
(3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-...)
Show SMILES COC(=O)c1sccc1NC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)
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n/an/an/an/a 8.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43018
PNG
(4-bromanyl-N-(1-propylbenzimidazol-2-yl)benzamide ...)
Show SMILES CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc12
Show InChI InChI=1S/C17H16BrN3O/c1-2-11-21-15-6-4-3-5-14(15)19-17(21)20-16(22)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
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n/an/an/an/a 8.96E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM40985
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)
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n/an/an/an/a 9.05E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM39443
PNG
(3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
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n/an/an/an/a 9.78E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42991
PNG
(2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N...)
Show SMILES Clc1ccccc1-c1nc(c(CC(=O)Nc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C23H17ClN2OS/c24-19-14-8-7-13-18(19)23-26-22(16-9-3-1-4-10-16)20(28-23)15-21(27)25-17-11-5-2-6-12-17/h1-14H,15H2,(H,25,27)
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n/an/an/an/a 1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43010
PNG
(2-[3-Cyano-6-(4-methoxy-phenyl)-4-thiophen-2-yl-py...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
Show InChI InChI=1S/C27H23N3O3S2/c1-32-20-11-9-18(10-12-20)23-14-21(25-8-5-13-34-25)22(15-28)27(30-23)35-17-26(31)29-16-19-6-3-4-7-24(19)33-2/h3-14H,16-17H2,1-2H3,(H,29,31)
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n/an/an/an/a 1.03E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43045
PNG
(10-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one ...)
Show SMILES COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O
Show InChI InChI=1S/C16H11NO2S/c1-19-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-16(18)15(14)20-13/h2-8H,1H3,(H,17,18)
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n/an/an/an/a 1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42927
PNG
(2-[(3-methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-...)
Show SMILES CCOC(=O)c1s\c(=N\C(=O)c2cccc(OC)c2)n(C)c1C
Show InChI InChI=1S/C16H18N2O4S/c1-5-22-15(20)13-10(2)18(3)16(23-13)17-14(19)11-7-6-8-12(9-11)21-4/h6-9H,5H2,1-4H3/b17-16+
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n/an/an/an/a 1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM40305
PNG
(2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thi...)
Show SMILES CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
Show InChI InChI=1S/C21H22N4O3S/c1-3-5-10-28-18(26)13-29-21-17(12-23)19(16(11-22)20(24)25-21)14-6-8-15(9-7-14)27-4-2/h6-9H,3-5,10,13H2,1-2H3,(H2,24,25)
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n/an/an/an/a 1.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/an/an/a 1.13E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43044
PNG
(3-(4-Chloro-phenyl)-1-cyclopropyl-1-(7-ethyl-1,2,3...)
Show SMILES CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
Show InChI InChI=1S/C22H21ClN6S/c1-2-14-3-10-20-15(11-14)12-16(21-25-26-27-29(20)21)13-28(19-8-9-19)22(30)24-18-6-4-17(23)5-7-18/h3-7,10-12,19H,2,8-9,13H2,1H3,(H,24,30)
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n/an/an/an/a 1.15E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42982
PNG
((7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)...)
Show SMILES CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
Show InChI InChI=1S/C16H14N2O4S/c1-9(2)22-15(19)7-23-16-11(6-17)3-10-4-13-14(21-8-20-13)5-12(10)18-16/h3-5,9H,7-8H2,1-2H3
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n/an/an/an/a 1.19E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43023
PNG
(2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...)
Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)
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n/an/an/an/a 1.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43090
PNG
(2,5-bis(chloranyl)-N-[3-(2-ethoxyethyl)-6-sulfamoy...)
Show SMILES CCOCCn1c2ccc(cc2s\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C16H15Cl2N3O4S3/c1-2-25-6-5-21-11-4-3-9(28(19,23)24)7-12(11)26-16(21)20-15(22)10-8-13(17)27-14(10)18/h3-4,7-8H,2,5-6H2,1H3,(H2,19,23,24)/b20-16-
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n/an/an/an/a 1.34E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42931
PNG
(2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-meth...)
Show SMILES COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H18N4OS2/c1-24-14-6-4-8-16-17(14)21-19(26-16)23-11-9-22(10-12-23)18-20-13-5-2-3-7-15(13)25-18/h2-8H,9-12H2,1H3
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n/an/an/an/a 1.34E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43028
PNG
(2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-d...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31)
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n/an/an/an/a 1.38E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43054
PNG
(MLS000543203 | SMR000169172 | [2-(4-chlorophenyl)-...)
Show SMILES Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H
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n/an/an/an/a 1.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 1.47E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
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n/an/an/an/a 1.55E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43066
PNG
(4-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridiny...)
Show SMILES CCOC(=O)CC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C24H19ClN2O3S/c1-2-30-23(29)12-19(28)15-31-24-21(14-26)20(16-8-10-18(25)11-9-16)13-22(27-24)17-6-4-3-5-7-17/h3-11,13H,2,12,15H2,1H3
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n/an/an/an/a 1.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM50303385
PNG
(CHEMBL566064 | N-(4-(4-(azepan-1-ylsulfonyl)phenyl...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1
Show InChI InChI=1S/C20H21N3O3S3/c24-19(18-6-5-13-27-18)22-20-21-17(14-28-20)15-7-9-16(10-8-15)29(25,26)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,21,22,24)
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n/an/an/an/a 1.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42930
PNG
(6-(4-fluorophenyl)-3-methyl-N-(6-methyl-2-pyridiny...)
Show SMILES Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C19H15FN4OS/c1-11-4-3-5-16(21-11)23-18(25)17-12(2)24-10-15(22-19(24)26-17)13-6-8-14(20)9-7-13/h3-10H,1-2H3,(H,21,23,25)
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n/an/an/an/a 1.68E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42923
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4,5-trimethox...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C18H17NO5S/c1-21-15-8-11(9-16(22-2)17(15)23-3)13(20)10-25-18-19-12-6-4-5-7-14(12)24-18/h4-9H,10H2,1-3H3
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n/an/an/an/a 1.69E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43056
PNG
(4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop...)
Show SMILES Clc1ccc(-c2csc(n2)-c2ccc(cc2)C(=O)NCC=C)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N2OS/c1-2-9-22-18(24)12-3-5-13(6-4-12)19-23-17(11-25-19)15-8-7-14(20)10-16(15)21/h2-8,10-11H,1,9H2,(H,22,24)
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n/an/an/an/a 1.71E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43176
PNG
(4-fluoranyl-N-(2-phenylquinazolin-4-yl)benzamide |...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H14FN3O/c22-16-12-10-15(11-13-16)21(26)25-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,23,24,25,26)
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n/an/an/an/a 1.72E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43137
PNG
(5-bromanyl-N-(phenylcarbamothioyl)furan-2-carboxam...)
Show SMILES Brc1ccc(o1)C(=O)NC(=S)Nc1ccccc1
Show InChI InChI=1S/C12H9BrN2O2S/c13-10-7-6-9(17-10)11(16)15-12(18)14-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,18)
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n/an/an/an/a 1.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43169
PNG
(2-(4-isopropoxybenzoyl)imino-3,4-dimethyl-4-thiazo...)
Show SMILES CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC(C)C)cc2)n(C)c1C
Show InChI InChI=1S/C18H22N2O4S/c1-6-23-17(22)15-12(4)20(5)18(25-15)19-16(21)13-7-9-14(10-8-13)24-11(2)3/h7-11H,6H2,1-5H3/b19-18+
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n/an/an/an/a 1.83E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43020
PNG
(6-amino-5-[1-(4-chlorophenyl)-3-methyl-thieno[2,3-...)
Show SMILES Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C19H16ClN5O3S/c1-9-12-8-13(15(26)14-16(21)23(2)19(28)24(3)17(14)27)29-18(12)25(22-9)11-6-4-10(20)5-7-11/h4-8H,21H2,1-3H3
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n/an/an/an/a 1.84E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43007
PNG
(5-chloranyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzoth...)
Show SMILES COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
Show InChI InChI=1S/C16H11ClN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-
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n/an/an/an/a 1.84E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43013
PNG
(2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyr...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C26H21N3O2S2/c1-31-20-11-9-19(10-12-20)23-14-21(24-8-5-13-32-24)22(15-27)26(29-23)33-17-25(30)28-16-18-6-3-2-4-7-18/h2-14H,16-17H2,1H3,(H,28,30)
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n/an/an/an/a 1.88E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43062
PNG
(2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-thiop...)
Show SMILES Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
Show InChI InChI=1S/C18H15N3OS2/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
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n/an/an/an/a 1.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43104
PNG
(2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[3...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
Show InChI InChI=1S/C26H22BrN3O5S/c1-30(2)36(33,34)20-10-6-9-19(14-20)28-25(31)16-35-26(32)22-15-24(17-7-5-8-18(27)13-17)29-23-12-4-3-11-21(22)23/h3-15H,16H2,1-2H3,(H,28,31)
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n/an/an/an/a 1.91E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
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n/an/an/an/a 1.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43160
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiad...)
Show SMILES O=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C15H12N4O3S/c20-15(17-10-2-3-11-12(6-10)19-23-18-11)16-7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H2,16,17,20)
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n/an/an/an/a 2.04E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43097
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[(3...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
Show InChI InChI=1S/C16H9Cl3N2O3S/c17-8-5-10(18)15(20-6-8)21-12(22)7-24-16(23)14-13(19)9-3-1-2-4-11(9)25-14/h1-6H,7H2,(H,20,21,22)
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n/an/an/an/a 2.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42967
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(5-ethyl-1...)
Show SMILES CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
Show InChI InChI=1S/C16H13N5O2S2/c1-2-12-20-21-16(25-12)19-11(22)7-24-15-14-13(17-8-18-15)9-5-3-4-6-10(9)23-14/h3-6,8H,2,7H2,1H3,(H,19,21,22)
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n/an/an/an/a 2.26E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43022
PNG
(3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
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n/an/an/an/a 2.41E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43058
PNG
(4-(4-chlorophenyl)sulfanyl-1-(trifluoromethyl)-[1,...)
Show SMILES FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12
Show InChI InChI=1S/C16H8ClF3N4S/c17-9-5-7-10(8-6-9)25-14-13-22-23-15(16(18,19)20)24(13)12-4-2-1-3-11(12)21-14/h1-8H
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n/an/an/an/a 2.43E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43053
PNG
(3-(3,5-dichlorophenoxy)-1-methyl-2(1H)-quinoxalino...)
Show SMILES Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O
Show InChI InChI=1S/C15H10Cl2N2O2/c1-19-13-5-3-2-4-12(13)18-14(15(19)20)21-11-7-9(16)6-10(17)8-11/h2-8H,1H3
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n/an/an/an/a 2.45E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42955
PNG
(8-ethoxy-2-keto-N-(5-methylisoxazol-3-yl)chromene-...)
Show SMILES CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12
Show InChI InChI=1S/C16H14N2O5/c1-3-21-12-6-4-5-10-8-11(16(20)22-14(10)12)15(19)17-13-7-9(2)23-18-13/h4-8H,3H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 2.46E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42977
PNG
(5-[(5-carbomethoxy-2-thienyl)sulfonyl]thiophene-2-...)
Show SMILES COC(=O)c1ccc(s1)S(=O)(=O)c1ccc(s1)C(=O)OC
Show InChI InChI=1S/C12H10O6S3/c1-17-11(13)7-3-5-9(19-7)21(15,16)10-6-4-8(20-10)12(14)18-2/h3-6H,1-2H3
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n/an/an/an/a 2.47E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM42904
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(2-pyridin-4-yl...)
Show SMILES Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
Show InChI InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
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n/an/an/an/a 2.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43004
PNG
(2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-isoxa...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N2O5/c1-24-18(23)13-4-2-3-5-14(13)19-17(22)15-10-16(25-20-15)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22)
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n/an/an/an/a 2.49E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM43015
PNG
(2-Ethoxy-6-phenyl-3-(5-thiophen-2-yl-[1,2,4]oxadia...)
Show SMILES CCOc1nc(ccc1-c1noc(n1)-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(24-22-17)16-9-6-12-25-16/h3-12H,2H2,1H3
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n/an/an/an/a 2.58E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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