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PubChem AID 1323

Compile Data Set for Download or QSAR

Found 349 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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 2


(Homo sapiens (Human))		BDBM42889
PNG
(MLS000032959 | N-[3-[[4-(cyclopropylsulfamoyl)phen...)
Show SMILES O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1
Show InChI InChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42892
PNG
(Furan-2-carboxylic acid [2-(3,4-dimethoxy-phenyl)-...)
Show SMILES COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC
Show InChI InChI=1S/C24H23N3O5/c1-30-19-10-9-16(14-21(19)31-2)11-12-27(24(29)20-8-5-13-32-20)15-22-25-18-7-4-3-6-17(18)23(28)26-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,26,28)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 2.53E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42917
PNG
(4-(1-imidazolylmethyl)-7,8-dihydro-6H-cyclopenta[g...)
Show SMILES O=c1cc(Cn2ccnc2)c2cc3CCCc3cc2o1
Show InChI InChI=1S/C16H14N2O2/c19-16-8-13(9-18-5-4-17-10-18)14-6-11-2-1-3-12(11)7-15(14)20-16/h4-8,10H,1-3,9H2
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42921
PNG
(1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl...)
Show SMILES Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)n1
Show InChI InChI=1S/C23H21N9OS/c1-3-12-31-19(33)15-9-5-7-11-17(15)32-22(31)29-30-23(32)34-13-18-26-20(24)28-21(27-18)25-16-10-6-4-8-14(16)2/h3-11H,1,12-13H2,2H3,(H3,24,25,26,27,28)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42926
PNG
(3-ethoxypropyl(veratryl)amine;oxalic acid | MLS000...)
Show SMILES CCOCCCNCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)14(10-12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42945
PNG
(3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfany...)
Show SMILES Brc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1
Show InChI InChI=1S/C12H9BrN2O3S/c13-8-3-1-7(2-4-8)10-14-15-12(18-10)19-9-5-6-17-11(9)16/h1-4,9H,5-6H2
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n/an/an/an/a 7.53E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM34467
PNG
(MLS000051238 | N-[4-(1,3-benzoxazol-2-yl)phenyl]-3...)
Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H17N3O4/c28-21(13-14-27-23(29)17-5-1-2-6-18(17)24(27)30)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)31-22/h1-12H,13-14H2,(H,25,28)
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n/an/an/an/a 7.16E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42961
PNG
(3-phenyl-2H-phthalazine-1,4-dione | 3-phenyl-2H-ph...)
Show SMILES O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)14(18)16(15-13)10-6-2-1-3-7-10/h1-9H,(H,15,17)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42974
PNG
((4-methoxyphenyl)-[2-(p-anisidino)ethyl]amine | ML...)
Show SMILES COc1ccc(NCCNc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C16H20N2O2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 2.71E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42990
PNG
(2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyr...)
Show SMILES N#Cc1cc2CCCc2nc1SCc1ccccc1
Show InChI InChI=1S/C16H14N2S/c17-10-14-9-13-7-4-8-15(13)18-16(14)19-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,11H2
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n/an/an/an/a 4.52E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42992
PNG
(5-(2,5-dichloro-3-thienyl)-1-(4-methylphenyl)-1H-p...)
Show SMILES Cc1ccc(cc1)-n1nccc1-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C14H10Cl2N2S/c1-9-2-4-10(5-3-9)18-12(6-7-17-18)11-8-13(15)19-14(11)16/h2-8H,1H3
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43002
PNG
(3-benzyl-8-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N |c:36|
Show InChI InChI=1S/C29H27N3O3S/c1-34-27-14-23(12-13-26(27)35-18-22-10-6-3-7-11-22)24-15-28(33)32-19-31(17-21-8-4-2-5-9-21)20-36-29(32)25(24)16-30/h2-14,24H,15,17-20H2,1H3
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Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43006
PNG
(4-[(4-fluorobenzyl)amino]-2-(2-keto-2-methoxy-ethy...)
Show SMILES CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C20H20FN3O4S/c1-4-28-20(26)17-11(2)16-18(22-10-12-5-7-13(21)8-6-12)23-14(9-15(25)27-3)24-19(16)29-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,24)
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Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43011
PNG
(2-(6-Amino-3,5-dicyano-4-thiophen-2-yl-pyridin-2-y...)
Show SMILES COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
Show InChI InChI=1S/C21H17N5O2S2/c1-28-16-6-3-2-5-13(16)11-25-18(27)12-30-21-15(10-23)19(17-7-4-8-29-17)14(9-22)20(24)26-21/h2-8H,11-12H2,1H3,(H2,24,26)(H,25,27)
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM40562
PNG
(5-[[4-(4-methylpiperidino)sulfonylbenzoyl]oxymethy...)
Show SMILES COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
Show InChI InChI=1S/C20H23NO7S/c1-14-9-11-21(12-10-14)29(24,25)17-6-3-15(4-7-17)19(22)27-13-16-5-8-18(28-16)20(23)26-2/h3-8,14H,9-13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43030
PNG
(5-amino-4-[(4-methylphenyl)diazenyl]-1-phenyl-1,2-...)
Show SMILES Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1 |w:8.9|
Show InChI InChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)18-19-14-15(17)21(20-16(14)22)13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43031
PNG
(2-[(7-ketobenzo[a]phenalen-3-yl)thio]-N-(4-methoxy...)
Show SMILES COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C26H19NO3S/c1-30-17-11-9-16(10-12-17)27-24(28)15-31-23-14-13-19-18-5-2-3-6-20(18)26(29)22-8-4-7-21(23)25(19)22/h2-14H,15H2,1H3,(H,27,28)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 8.90E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM41071
PNG
(2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoy...)
Show SMILES Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
Show InChI InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43068
PNG
((5Z)-2-amino-5-[(5-methyl-2-thienyl)methylene]-2-t...)
Show SMILES Cc1ccc(C=C2SC(N)=NC2=O)s1 |w:5.4,c:9|
Show InChI InChI=1S/C9H8N2OS2/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43071
PNG
(2-(benzylthio)-6-(4-chlorophenyl)-8H-pyrimido[4,5-...)
Show SMILES Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O
Show InChI InChI=1S/C19H13ClN4O2S/c20-13-6-8-14(9-7-13)24-17(25)15-10-21-18(22-16(15)23-19(24)26)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23,26)
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n/an/an/an/a 2.91E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43077
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H22N4OS/c1-13-9-8-10-14(2)17(13)21-20(26)22-18-15(3)23(4)24(19(18)25)16-11-6-5-7-12-16/h5-12H,1-4H3,(H2,21,22,26)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43086
PNG
(2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES Clc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
Show InChI InChI=1S/C22H18ClN5OS/c23-17-9-7-16(8-10-17)22-25-24-19-11-12-20(26-28(19)22)30-14-21(29)27-13-3-5-15-4-1-2-6-18(15)27/h1-2,4,6-12H,3,5,13-14H2
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n/an/an/an/a 2.74E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43101
PNG
(2-[[4-(3-chloranyl-4-methyl-phenyl)-5-sulfanyliden...)
Show SMILES CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC
Show InChI InChI=1S/C23H26ClN3O3S3/c1-4-29-19-9-7-16(12-20(19)30-5-2)10-11-25-21(28)14-32-22-26-27(23(31)33-22)17-8-6-15(3)18(24)13-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,28)
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n/an/an/an/a 5.19E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43103
PNG
(2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-methylbenzyl)a...)
Show SMILES Cc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H20FNO3/c1-16-2-4-17(5-3-16)14-25-22(26)15-28-21-12-8-19(9-13-21)23(27)18-6-10-20(24)11-7-18/h2-13H,14-15H2,1H3,(H,25,26)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 1.81E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43105
PNG
(1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]...)
Show SMILES Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(C)c(C)c1
Show InChI InChI=1S/C24H26FNO4/c1-14-5-6-21(7-15(14)2)26-16(3)8-22(17(26)4)23(29)13-30-24-18(11-27)9-20(25)10-19(24)12-28/h5-10,27-28H,11-13H2,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43107
PNG
(2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl...)
Show SMILES CC(C)NC(=O)NC(=O)CSc1ccccc1F
Show InChI InChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43111
PNG
(3-(2-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;9.75,2.07,;10.99,1.17,;10.52,-.3,;8.98,-.3,)|
Show InChI InChI=1S/C13H11N3OS/c1-9-5-2-3-6-10(9)16-12(14-15-13(16)18)11-7-4-8-17-11/h2-8H,1H3,(H,15,18)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43112
PNG
(1-({3-nitro-1H-pyrazol-1-yl}acetyl)-3-methyl-5-(tr...)
Show SMILES CC1=NN(C(=O)Cn2ccc(n2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
Show InChI InChI=1S/C10H10F3N5O4/c1-6-4-9(20,10(11,12)13)17(14-6)8(19)5-16-3-2-7(15-16)18(21)22/h2-3,20H,4-5H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43120
PNG
((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)...)
Show SMILES OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1S/C28H33BrN2O6/c29-23-6-4-21(5-7-23)22-16-26(37-27(17-22)34-14-2-1-13-32)28(33)31-11-9-30(10-12-31)18-20-3-8-24-25(15-20)36-19-35-24/h3-8,15-16,22,27,32H,1-2,9-14,17-19H2/t22-,27+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43128
PNG
(2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanyl...)
Show SMILES Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12
Show InChI InChI=1S/C21H15BrClN3O3S3/c22-16-8-9-18(20-15(16)2-1-3-17(20)23)31-12-19(27)25-13-4-6-14(7-5-13)32(28,29)26-21-24-10-11-30-21/h1-11H,12H2,(H,24,26)(H,25,27)
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n/an/an/an/a 2.86E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43143
PNG
(1,3-dimethyl-7-[2-(3,4,5,6-tetrahydro-2H-azepin-7-...)
Show SMILES Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O |w:8.7|
Show InChI InChI=1S/C15H22N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)9-8-17-11-6-4-3-5-7-16-11/h10H,3-9H2,1-2H3,(H,16,17)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43145
PNG
(MLS000672272 | N-[[5-[2-(3-fluoroanilino)-2-oxoeth...)
Show SMILES COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1
Show InChI InChI=1S/C21H22FN5O3S/c1-27-18(12-23-19(28)10-14-6-8-17(30-2)9-7-14)25-26-21(27)31-13-20(29)24-16-5-3-4-15(22)11-16/h3-9,11H,10,12-13H2,1-2H3,(H,23,28)(H,24,29)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43156
PNG
(MLS000713954 | N-(2,3-dimethylphenyl)-N-[2-[4-(4-f...)
Show SMILES Cc1cccc(N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O3S/c1-16-5-4-6-20(17(16)2)25(29(3,27)28)15-21(26)24-13-11-23(12-14-24)19-9-7-18(22)8-10-19/h4-10H,11-15H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43183
PNG
(((2S,4S)-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trif...)
Show SMILES OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
Show InChI InChI=1S/C25H26F3NO5/c26-25(27,28)21-7-5-19(6-8-21)20-13-22(24(31)29-9-11-32-12-10-29)34-23(14-20)33-16-18-3-1-17(15-30)2-4-18/h1-8,13,20,23,30H,9-12,14-16H2/t20-,23+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM43194
PNG
(2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-q...)
Show SMILES CCc1nc2ccc(cc2nc1CC)C(=O)Nc1nnc(C)s1
Show InChI InChI=1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42894
PNG
(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid...)
Show SMILES CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
Show InChI InChI=1S/C16H16N2O3S2/c1-10(15(19)17-9-11-4-3-6-22-11)21-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		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 2.40E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42905
PNG
(MLS000082243 | N-[(1S)-1-[5-(butylthio)-1,3,4-oxad...)
Show SMILES CCCCSc1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C13H23N3O3S/c1-6-7-8-20-12-16-15-10(18-12)9(2)14-11(17)19-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m0/s1
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM40284
PNG
(MLS000082661 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C22H19N3O4S/c1-2-18-24-20-14-5-3-4-6-15(14)29-21(20)22(25-18)30-12-19(26)23-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,23,26)
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n/an/an/an/a 2.33E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42910
PNG
(2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-...)
Show SMILES Cc1cc(C)n(n1)-c1nc(SCC(=O)Nc2nccs2)c2c3CC(C)(C)OCc3sc2n1
Show InChI InChI=1S/C21H22N6O2S3/c1-11-7-12(2)27(26-11)19-24-17(31-10-15(28)23-20-22-5-6-30-20)16-13-8-21(3,4)29-9-14(13)32-18(16)25-19/h5-7H,8-10H2,1-4H3,(H,22,23,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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

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BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42918
PNG
(5-[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C
Show InChI InChI=1S/C20H28N2O6/c1-4-27-20(26)17-12(2)18(22-13(17)3)15(23)11-28-16(24)10-21-19(25)14-8-6-5-7-9-14/h14,22H,4-11H2,1-3H3,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

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

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BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42946
PNG
((6-morpholino-1,3-benzothiazol-2-yl)amine | 6-(4-m...)
Show SMILES Nc1nc2ccc(cc2s1)N1CCOCC1
Show InChI InChI=1S/C11H13N3OS/c12-11-13-9-2-1-8(7-10(9)16-11)14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,12,13)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42947
PNG
(1-cyclopentyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo...)
Show SMILES Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12
Show InChI InChI=1S/C13H17N3O/c1-8-7-11(17)14-13-12(8)9(2)15-16(13)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,17)
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The Scripps Research Institute Molecular Screening Center

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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42957
PNG
(5-(5-bromanylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-1...)
Show SMILES COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1
Show InChI InChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-14(21-17-13)10-5-6-12(15)20-10/h3-7H,1-2H3
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n/an/an/an/a 6.30E+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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))		BDBM42962
PNG
(MLS000118419 | N-(3-acetylphenyl)-2-pyrazolo[1,5-a...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)12-5-4-6-13(9-12)17-16(21)15-10-14-7-2-3-8-19(14)18-15/h2-10H,1H3,(H,17,21)
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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)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%