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595 molecules are shown

Wt: 378.5
BDBM40141Purchase		Wt: 380.5
BDBM40142Purchase		Wt: 404.2
BDBM40062Purchase		Wt: 381.4
BDBM40173Purchase		Wt: 362.3
BDBM40212Purchase
Wt: 430.4
BDBM40004Purchase		Wt: 378.4
BDBM40005Purchase		Wt: 318.3
BDBM39944		Wt: 280.2
BDBM40211Purchase		Wt: 391.4
BDBM39961Purchase
Wt: 388.4
BDBM40111Purchase		Wt: 332.3
BDBM40014Purchase		Wt: 333.3
BDBM39981Purchase		Wt: 411.4
BDBM40159Purchase		Wt: 445.4
BDBM40089Purchase
<<  First   |  Previous   |  Displayed 16 to 30 (of 595 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 69 hits for monomerid = 39944,39961,39981,40004,40005,40014,40062,40089,40111,40141,40142,40159,40173,40211,40212   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM39944
PNG
(MLS000057450 | N-(2-furfurylcarbamoyl)-2-[(2-methy...)
Show SMILES Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
Show InChI InChI=1S/C16H18N2O3S/c1-12-5-2-3-6-13(12)10-22-11-15(19)18-16(20)17-9-14-7-4-8-21-14/h2-8H,9-11H2,1H3,(H2,17,18,19,20)
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n/an/a 9.27E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM39961
PNG
(2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-...)
Show SMILES Fc1ccc(cc1)-c1csc(SCC(=O)NC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C17H14FN3O3S2/c18-12-5-3-11(4-6-12)14-9-25-17(20-14)26-10-15(22)21-16(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H2,19,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM39981
PNG
(3-(4-methoxyphenoxy)propanoic acid [2-(2-furanylme...)
Show SMILES COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C17H19NO6/c1-21-13-4-6-14(7-5-13)23-10-8-17(20)24-12-16(19)18-11-15-3-2-9-22-15/h2-7,9H,8,10-12H2,1H3,(H,18,19)
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n/an/a 3.33E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 4.83E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
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n/an/a<1.56E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40014
PNG
(MLS000043380 | N-(2-furanylmethyl)-2-(5-methyl-2-f...)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
Show InChI InChI=1S/C20H16N2O3/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
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n/an/a 6.84E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/a 1.79E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40111
PNG
(MLS000111310 | N-[4-[(4-methyl-2-pyrimidinyl)sulfa...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Show InChI InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40141
PNG
(MLS000122969 | N-[4-(4-Methyl-piperidine-1-sulfony...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
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n/an/a 9.49E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40142
PNG
(MLS000123127 | N-(4-Dipropylsulfamoyl-phenyl)-2-th...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C18H24N2O3S2/c1-3-11-20(12-4-2)25(22,23)17-9-7-15(8-10-17)19-18(21)14-16-6-5-13-24-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,19,21)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40159
PNG
(5-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic ...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-4-14-15(7-20)19(29-17(14)6-11)22-18(25)16-5-3-13(28-16)10-23-9-12(8-21-23)24(26)27/h3,5,8-9,11H,2,4,6,10H2,1H3,(H,22,25)
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n/an/a 8.35E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40173
PNG
(MLS000594161 | N-cyclohexyl-2-(6-keto-8-methoxy-be...)
Show SMILES COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
Show InChI InChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40212
PNG
(7-methoxy-N-p-phenetyl-furo[2,3-b]quinoline-2-carb...)
Show SMILES CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-3-26-16-8-5-15(6-9-16)22-20(24)19-11-14-10-13-4-7-17(25-2)12-18(13)23-21(14)27-19/h4-12H,3H2,1-2H3,(H,22,24)
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n/an/a 4.73E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM40173
PNG
(MLS000594161 | N-cyclohexyl-2-(6-keto-8-methoxy-be...)
Show SMILES COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
Show InChI InChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
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n/an/a 3.46E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/an/an/a 2.73n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VQ313H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 1.76E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40014
PNG
(MLS000043380 | N-(2-furanylmethyl)-2-(5-methyl-2-f...)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
Show InChI InChI=1S/C20H16N2O3/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/a 349n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40111
PNG
(MLS000111310 | N-[4-[(4-methyl-2-pyrimidinyl)sulfa...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Show InChI InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40141
PNG
(MLS000122969 | N-[4-(4-Methyl-piperidine-1-sulfony...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
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n/an/a 127n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40159
PNG
(5-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic ...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-4-14-15(7-20)19(29-17(14)6-11)22-18(25)16-5-3-13(28-16)10-23-9-12(8-21-23)24(26)27/h3,5,8-9,11H,2,4,6,10H2,1H3,(H,22,25)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40173
PNG
(MLS000594161 | N-cyclohexyl-2-(6-keto-8-methoxy-be...)
Show SMILES COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
Show InChI InChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 3.05E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40014
PNG
(MLS000043380 | N-(2-furanylmethyl)-2-(5-methyl-2-f...)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
Show InChI InChI=1S/C20H16N2O3/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
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n/an/a 3.37E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/a 2.73E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 5.99E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40111
PNG
(MLS000111310 | N-[4-[(4-methyl-2-pyrimidinyl)sulfa...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Show InChI InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
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n/an/a 3.09E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40141
PNG
(MLS000122969 | N-[4-(4-Methyl-piperidine-1-sulfony...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40159
PNG
(5-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic ...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-4-14-15(7-20)19(29-17(14)6-11)22-18(25)16-5-3-13(28-16)10-23-9-12(8-21-23)24(26)27/h3,5,8-9,11H,2,4,6,10H2,1H3,(H,22,25)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40173
PNG
(MLS000594161 | N-cyclohexyl-2-(6-keto-8-methoxy-be...)
Show SMILES COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
Show InChI InChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
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n/an/a 7.51E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase


(Mycobacterium tuberculosis H37Rv)		BDBM40212
PNG
(7-methoxy-N-p-phenetyl-furo[2,3-b]quinoline-2-carb...)
Show SMILES CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-3-26-16-8-5-15(6-9-16)22-20(24)19-11-14-10-13-4-7-17(25-2)12-18(13)23-21(14)27-19/h4-12H,3H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

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n/an/a 3.24E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Core protein


(Hepatitis C virus)		BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2902274
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))		BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N58JV3
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)		BDBM40141
PNG
(MLS000122969 | N-[4-(4-Methyl-piperidine-1-sulfony...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
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n/an/a 4.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM39944
PNG
(MLS000057450 | N-(2-furfurylcarbamoyl)-2-[(2-methy...)
Show SMILES Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
Show InChI InChI=1S/C16H18N2O3S/c1-12-5-2-3-6-13(12)10-22-11-15(19)18-16(20)17-9-14-7-4-8-21-14/h2-8H,9-11H2,1H3,(H2,17,18,19,20)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM39961
PNG
(2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-...)
Show SMILES Fc1ccc(cc1)-c1csc(SCC(=O)NC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C17H14FN3O3S2/c18-12-5-3-11(4-6-12)14-9-25-17(20-14)26-10-15(22)21-16(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H2,19,21,22,23)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM39981
PNG
(3-(4-methoxyphenoxy)propanoic acid [2-(2-furanylme...)
Show SMILES COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C17H19NO6/c1-21-13-4-6-14(7-5-13)23-10-8-17(20)24-12-16(19)18-11-15-3-2-9-22-15/h2-7,9H,8,10-12H2,1H3,(H,18,19)
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n/an/a 9.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 4.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/a 1.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))		BDBM40111
PNG
(MLS000111310 | N-[4-[(4-methyl-2-pyrimidinyl)sulfa...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Show InChI InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
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