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334 molecules are shown

Wt: 334.3
BDBM33038Purchase		Wt: 309.7
BDBM33039Purchase		Wt: 441.5
BDBM33040Purchase		Wt: 289.3
BDBM33041Purchase		Wt: 379.4
BDBM33042
Wt: 293.2
BDBM33043Purchase		Wt: 379.4
BDBM33044Purchase		Wt: 210.2
BDBM33045Purchase		Wt: 466.5
BDBM33046Purchase		Wt: 276.3
BDBM33047Purchase
Wt: 322.3
BDBM33053Purchase		Wt: 381.3
BDBM33055Purchase		Wt: 341.3
BDBM33056Purchase		Wt: 245.2
BDBM33054Purchase		Wt: 457.5
BDBM32331Purchase
<<  First   |  Previous   |  Displayed 31 to 45 (of 334 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 84 hits for monomerid = 32331,33038,33039,33040,33041,33042,33043,33044,33045,33046,33047,33053,33054,33055,33056   
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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))		BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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n/an/an/an/a 410n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33038
PNG
(Acetic acid 4-(2,3-dihydro-1H-perimidin-2-yl)-2-me...)
Show SMILES COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C20H18N2O3/c1-12(23)25-17-10-9-14(11-18(17)24-2)20-21-15-7-3-5-13-6-4-8-16(22-20)19(13)15/h3-11,20-22H,1-2H3
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n/an/an/an/a 1.11E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33039
PNG
(2-amino-4-(4-chlorophenyl)-6-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/an/an/a 2.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33040
PNG
(MLS000039339 | SMR000037955 | cid_660641)
Show SMILES COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
Show InChI InChI=1S/C21H19N3O4S2/c1-21(2)7-11-12(8-28-21)16(13-5-4-6-27-13)24-19-15(11)17-18(30-19)20(23-10-22-17)29-9-14(25)26-3/h4-6,10H,7-9H2,1-3H3
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n/an/an/an/a 1.24E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33041
PNG
(2-amino-6-(5-methyl-2-furanyl)-4-(4-methylphenyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H15N3O/c1-11-3-6-13(7-4-11)14-9-16(17-8-5-12(2)22-17)21-18(20)15(14)10-19/h3-9H,1-2H3,(H2,20,21)
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n/an/an/an/a 2.25E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/an/an/a 4.08E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33043
PNG
(2-amino-6-(4-fluorophenyl)-4-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/an/an/a 2.44E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33044
PNG
(MLS000082988 | N,N-diethyl-4-[3-(1,4,5,6-tetrahydr...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
Show InChI InChI=1S/C19H21N7S/c1-3-25(4-2)13-10-8-12(9-11-13)18-24-26-17(22-23-19(26)27-18)16-14-6-5-7-15(14)20-21-16/h8-11H,3-7H2,1-2H3,(H,20,21)
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n/an/an/an/a 2.86E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/an/an/a 3.02E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/an/an/a 4.19E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33047
PNG
(2-[(E)-1-(2-furanyl)prop-1-en-2-yl]-2,3-dihydro-1H...)
Show SMILES C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3/b12-11+
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n/an/an/an/a 1.58E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33053
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3
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n/an/an/an/a 1.73E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33054
PNG
(1,3-diphenyl-1H-pyrazole-5-carbonitrile | 2,5-diph...)
Show SMILES N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H11N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-11H
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n/an/an/an/a 2.02E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/an/an/a 7.56E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33056
PNG
(3-amino-N-(2-furanylmethyl)-5-oxo-7,8-dihydro-6H-t...)
Show SMILES Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C17H15N3O3S/c18-14-11-7-10-12(4-1-5-13(10)21)20-17(11)24-15(14)16(22)19-8-9-3-2-6-23-9/h2-3,6-7H,1,4-5,8,18H2,(H,19,22)
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n/an/an/an/a 5.73E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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n/an/an/an/a 3.03E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 9.38E+3n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 2.16E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 900n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM33054
PNG
(1,3-diphenyl-1H-pyrazole-5-carbonitrile | 2,5-diph...)
Show SMILES N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H11N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-11H
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n/an/a 876n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S]


(Human immunodeficiency virus type 1)		BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/a 2.00E+3n/an/an/an/a8.020



National Cancer Institute



Assay Description
RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...

ACS Chem Biol 3: 635-44 (2008)


Article DOI: 10.1021/cb8001039
BindingDB Entry DOI: 10.7270/Q29P300F
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D]


(Human immunodeficiency virus type 2)		BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/a 2.50E+3n/an/an/an/a8.020



National Cancer Institute



Assay Description
RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...

ACS Chem Biol 3: 635-44 (2008)


Article DOI: 10.1021/cb8001039
BindingDB Entry DOI: 10.7270/Q29P300F
More data for this
Ligand-Target Pair
Ribonuclease HI


(Escherichia coli (strain K12))		BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/a 1.00E+5n/an/an/an/a8.020



National Cancer Institute



Assay Description
RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...

ACS Chem Biol 3: 635-44 (2008)


Article DOI: 10.1021/cb8001039
BindingDB Entry DOI: 10.7270/Q29P300F
More data for this
Ligand-Target Pair
Ribonuclease H1


(Homo sapiens (Human))		BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/a 1.06E+4n/an/an/an/a8.020



National Cancer Institute



Assay Description
RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...

ACS Chem Biol 3: 635-44 (2008)


Article DOI: 10.1021/cb8001039
BindingDB Entry DOI: 10.7270/Q29P300F
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM33039
PNG
(2-amino-4-(4-chlorophenyl)-6-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/an/an/a>4.50E+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 Networ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 2.84E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 3.57E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/a>3.67E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/an/an/a 1.82E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/a 4.69E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 3.56E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a>1.00E+5n/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
Steroidogenic factor 1


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/a 5.03E+3n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))		BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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n/an/an/an/a 210n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
Bcl-2-like protein 10 [11-204]


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/an/an/a 2.17E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GBT
More data for this
Ligand-Target Pair
Bcl-2-like protein 10 [11-204]


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/an/an/a 3.38E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GBT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM33038
PNG
(Acetic acid 4-(2,3-dihydro-1H-perimidin-2-yl)-2-me...)
Show SMILES COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C20H18N2O3/c1-12(23)25-17-10-9-14(11-18(17)24-2)20-21-15-7-3-5-13-6-4-8-16(22-20)19(13)15/h3-11,20-22H,1-2H3
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n/an/an/an/a 1.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM33040
PNG
(MLS000039339 | SMR000037955 | cid_660641)
Show SMILES COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
Show InChI InChI=1S/C21H19N3O4S2/c1-21(2)7-11-12(8-28-21)16(13-5-4-6-27-13)24-19-15(11)17-18(30-19)20(23-10-22-17)29-9-14(25)26-3/h4-6,10H,7-9H2,1-3H3
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n/an/an/an/a 3.40E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM33041
PNG
(2-amino-6-(5-methyl-2-furanyl)-4-(4-methylphenyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H15N3O/c1-11-3-6-13(7-4-11)14-9-16(17-8-5-12(2)22-17)21-18(20)15(14)10-19/h3-9H,1-2H3,(H2,20,21)
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n/an/an/an/a 1.85E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/an/an/a 6.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
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