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Compile Data Set for Download or QSAR

Found 235 hits of ec50 for UniProtKB: Q16548   
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
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
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n/an/an/an/a 10n/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))		BDBM33133
PNG
(3-(4-methylphenyl)-5-(4-morpholinyl)-2-phenyl-1,2,...)
Show SMILES Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H20N3OS/c1-15-7-9-16(10-8-15)18-20-19(21-11-13-23-14-12-21)24-22(18)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3/q+1
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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))		CHEMBL5281728
PNG
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n/an/an/an/a 23n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
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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))		BDBM33134
PNG
(4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)morphol...)
Show SMILES C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1
Show InChI InChI=1S/C18H18N3OS/c1-3-7-15(8-4-1)17-19-18(20-11-13-22-14-12-20)23-21(17)16-9-5-2-6-10-16/h1-10H,11-14H2/q+1
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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))		BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
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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))		BDBM33097
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3
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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))		BDBM33080
PNG
(2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-2-14(24)27-8-7-19-11-9-13(15-16(22-28-21-15)17(11)23(25)26)30-18-20-10-5-3-4-6-12(10)29-18/h3-6,9,19H,2,7-8H2,1H3
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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))		BDBM33098
PNG
(2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O4S2/c21-6-5-16-9-7-11(12-13(19-24-18-12)14(9)20(22)23)26-15-17-8-3-1-2-4-10(8)25-15/h1-4,7,16,21H,5-6H2
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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))		BDBM33180
PNG
(3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nit...)
Show SMILES Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
Show InChI InChI=1S/C12H12N6O4S2/c1-6-14-15-12(23-6)24-8-5-7(13-3-2-4-19)11(18(20)21)10-9(8)16-22-17-10/h5,13,19H,2-4H2,1H3
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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))		BDBM33097
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33107
PNG
(2-chloranyl-3-[[4-(diethylamino)phenyl]amino]napht...)
Show SMILES CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
Show InChI InChI=1S/C20H19ClN2O2/c1-3-23(4-2)14-11-9-13(10-12-14)22-18-17(21)19(24)15-7-5-6-8-16(15)20(18)25/h5-12,22H,3-4H2,1-2H3
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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))		BDBM33096
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O4S2/c22-7-3-6-17-10-8-12(13-14(20-25-19-13)15(10)21(23)24)27-16-18-9-4-1-2-5-11(9)26-16/h1-2,4-5,8,17,22H,3,6-7H2
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n/an/an/an/a 260n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33124
PNG
(2-Chloro-3-[4-(2-nitro-phenyl)-piperazin-1-yl]-[1,...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:17|
Show InChI InChI=1S/C20H16ClN3O4/c21-17-18(20(26)14-6-2-1-5-13(14)19(17)25)23-11-9-22(10-12-23)15-7-3-4-8-16(15)24(27)28/h1-8H,9-12H2
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n/an/an/an/a 360n/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))		BDBM33111
PNG
(4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...)
Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3
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n/an/an/an/a 470n/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))		BDBM33198
PNG
(MLS001001946 | N-[4-(4-phenyl-2-thioxo-4-imidazoli...)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)
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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))		BDBM33188
PNG
(2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nit...)
Show SMILES Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
Show InChI InChI=1S/C11H10N6O4S2/c1-5-13-14-11(22-5)23-7-4-6(12-2-3-18)10(17(19)20)9-8(7)15-21-16-9/h4,12,18H,2-3H2,1H3
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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))		BDBM33174
PNG
(2-[[(5Z)-5-(4-bromobenzylidene)-4-keto-2-thiazolin...)
Show SMILES CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(Br)cc1 |t:7|
Show InChI InChI=1S/C14H12BrNO3S2/c1-2-19-12(17)8-20-14-16-13(18)11(21-14)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3/b11-7-
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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))		BDBM33163
PNG
(MLS000677960 | SMR000285999 | acetic acid;2-methyl...)
Show SMILES [#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|
Show InChI InChI=1S/C19H13N3O2S/c1-12-20-18-17(16(11-25-18)13-5-3-2-4-6-13)19(24)22(12)21-14-7-9-15(23)10-8-14/h2-11H,1H3
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n/an/an/an/a 560n/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))		BDBM50376902
PNG
(CHEMBL408194)
Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-
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n/an/an/an/a 600n/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant Bfl1 interaction with biotinylated Bim peptide by ELISA based competitive binding assay

Eur J Med Chem 57: 112-25 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.012
BindingDB Entry DOI: 10.7270/Q2B8598P
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33095
PNG
(6-Methoxy-1,3-dimethyl-1H-benzo[de]cinnoline | MLS...)
Show SMILES COc1ccc2c(C)nn(C)c3cccc1c23
Show InChI InChI=1S/C14H14N2O/c1-9-10-7-8-13(17-3)11-5-4-6-12(14(10)11)16(2)15-9/h4-8H,1-3H3
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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))		BDBM33096
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O4S2/c22-7-3-6-17-10-8-12(13-14(20-25-19-13)15(10)21(23)24)27-16-18-9-4-1-2-5-11(9)26-16/h1-2,4-5,8,17,22H,3,6-7H2
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n/an/an/an/a 610n/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))		BDBM33197
PNG
(1-(2-methoxyphenyl)-5-phenyl-4-imidazoline-2-thion...)
Show SMILES COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
Show InChI InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)18-14(11-17-16(18)20)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
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n/an/an/an/a 610n/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))		BDBM33181
PNG
(4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-1,3-dih...)
Show SMILES CCOc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O3S/c1-4-24-15-8-6-14(7-9-15)21-12-16(20-19(21)25)13-5-10-17(22-2)18(11-13)23-3/h5-12H,4H2,1-3H3,(H,20,25)
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n/an/an/an/a 680n/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))		BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
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n/an/an/an/a 680n/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))		BDBM33081
PNG
(2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O4S2/c1-20(6-7-22)10-8-12(13-14(19-25-18-13)15(10)21(23)24)27-16-17-9-4-2-3-5-11(9)26-16/h2-5,8,22H,6-7H2,1H3
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33183
PNG
(5-[[5-(5-chloranyl-2-nitro-phenyl)furan-2-yl]methy...)
Show SMILES [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C15H8ClN3O6/c16-7-1-3-11(19(23)24)9(5-7)12-4-2-8(25-12)6-10-13(20)17-15(22)18-14(10)21/h1-6H,(H2-,17,18,20,21,22)
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n/an/an/an/a 810n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33188
PNG
(2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nit...)
Show SMILES Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
Show InChI InChI=1S/C11H10N6O4S2/c1-5-13-14-11(22-5)23-7-4-6(12-2-3-18)10(17(19)20)9-8(7)15-21-16-9/h4,12,18H,2-3H2,1H3
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n/an/an/an/a 820n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33116
PNG
((E)-3-(5-methyl-2-furanyl)-N-[3-[[(E)-3-(5-methyl-...)
Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H19N3O6/c1-14-3-6-17(30-14)8-11-21(26)23-16-5-10-20(25(28)29)19(13-16)24-22(27)12-9-18-7-4-15(2)31-18/h3-13H,1-2H3,(H,23,26)(H,24,27)/b11-8+,12-9+
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n/an/an/an/a 830n/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))		BDBM33061
PNG
(4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2...)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H16N4S/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12/h3-11H,1-2H3,(H,18,19)
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n/an/an/an/a 850n/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))		BDBM33167
PNG
(4-(2-chloranyl-5-ethenylsulfinyl-4-nitro-thiophen-...)
Show SMILES [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)C=C
Show InChI InChI=1S/C10H11ClN2O4S2/c1-2-19(16)10-8(13(14)15)7(9(11)18-10)12-3-5-17-6-4-12/h2H,1,3-6H2
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n/an/an/an/a 850n/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))		BDBM32310
PNG
(MLS000390238 | SMR000259502 | cid_6311834)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
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n/an/an/an/a 870n/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))		BDBM33079
PNG
(2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-ben...)
Show SMILES COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C
Show InChI InChI=1S/C21H25BrN4O4/c1-21(2,3)26-18(27)11-30-19-14(22)7-12(8-17(19)29-4)10-23-13-5-6-15-16(9-13)25-20(28)24-15/h5-9,23H,10-11H2,1-4H3,(H,26,27)(H2,24,25,28)
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n/an/an/an/a 870n/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))		BDBM33048
PNG
((5Z)-5-{[4-(dimethylamino)phenyl]imino}-1-(3-hydro...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
Show InChI InChI=1S/C18H20N4O3/c1-12-15(11-19)17(24)22(9-4-10-23)18(25)16(12)20-13-5-7-14(8-6-13)21(2)3/h5-8,23H,4,9-10H2,1-3H3/b20-16+
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n/an/an/an/a 890n/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))		BDBM31704
PNG
(MLS000050353 | N-(2,3-di-2-furyl-6-quinoxalinyl)-1...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
Show InChI InChI=1S/C23H22N4O3/c28-23(27-11-3-1-2-4-12-27)24-16-9-10-17-18(15-16)26-22(20-8-6-14-30-20)21(25-17)19-7-5-13-29-19/h5-10,13-15H,1-4,11-12H2,(H,24,28)
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n/an/an/an/a 920n/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))		BDBM33156
PNG
(4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)amino]...)
Show SMILES COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
Show InChI InChI=1S/C18H20N2O4S/c1-11-13(10-12-6-4-3-5-7-12)25-18(16(11)17(19)23)20-14(21)8-9-15(22)24-2/h3-7H,8-10H2,1-2H3,(H2,19,23)(H,20,21)
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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))		BDBM33200
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-(dieth...)
Show SMILES CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C20H20N2O4/c1-3-22(4-2)19(23)13-26-20(24)15-12-17(18-10-7-11-25-18)21-16-9-6-5-8-14(15)16/h5-12H,3-4,13H2,1-2H3
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n/an/an/an/a 1.03E+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))		BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
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n/an/an/an/a 1.06E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33195
PNG
(4-(2,6-diethylphenyl)-3-(3-pyridinyl)-1H-1,2,4-tri...)
Show SMILES CCc1cccc(CC)c1-n1c(n[nH]c1=S)-c1cccnc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;9.95,-1.57,;10.72,-2.9,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.83,1.96,;10.86,.82,;12.37,1.14,;12.85,2.6,;11.82,3.75,;10.31,3.43,)|
Show InChI InChI=1S/C17H18N4S/c1-3-12-7-5-8-13(4-2)15(12)21-16(19-20-17(21)22)14-9-6-10-18-11-14/h5-11H,3-4H2,1-2H3,(H,20,22)
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n/an/an/an/a 1.09E+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))		BDBM32311
PNG
(MLS000390291 | SMR000259554 | cid_7125637)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
Show InChI InChI=1S/C23H19N3O3S/c24-19-18-17(16-4-2-10-29-16)15-8-5-12(11-14-3-1-9-28-14)20(15)26-23(18)30-21(19)22(27)25-13-6-7-13/h1-4,9-11,13H,5-8,24H2,(H,25,27)/b12-11-
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n/an/an/an/a 1.09E+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))		BDBM33093
PNG
(MLS000537607 | SMR000161417 | cid_990752 | dimethy...)
Show SMILES COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23
Show InChI InChI=1S/C24H17NO4/c1-28-23(26)20-17-12-11-16-18(14-7-4-3-5-8-14)13-15-9-6-10-19(25(15)22(16)17)21(20)24(27)29-2/h3-13H,1-2H3
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n/an/an/an/a 1.12E+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))		BDBM33154
PNG
(4-[(2-benzoxybenzyl)amino]phenol | 4-[(2-phenylmet...)
Show SMILES Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
Show InChI InChI=1S/C20H19NO2/c22-19-12-10-18(11-13-19)21-14-17-8-4-5-9-20(17)23-15-16-6-2-1-3-7-16/h1-13,21-22H,14-15H2
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n/an/an/an/a 1.12E+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))		BDBM33118
PNG
(2-[[(5Z)-4-keto-5-p-anisylidene-2-thiazolin-2-yl]t...)
Show SMILES CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|
Show InChI InChI=1S/C15H15NO4S2/c1-3-20-13(17)9-21-15-16-14(18)12(22-15)8-10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3/b12-8-
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n/an/an/an/a 1.12E+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))		BDBM33164
PNG
(4-[(2-ethoxybenzyl)amino]phenol | 4-[(2-ethoxyphen...)
Show SMILES CCOc1ccccc1CNc1ccc(O)cc1
Show InChI InChI=1S/C15H17NO2/c1-2-18-15-6-4-3-5-12(15)11-16-13-7-9-14(17)10-8-13/h3-10,16-17H,2,11H2,1H3
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n/an/an/an/a 1.13E+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))		BDBM32278
PNG
((6-anilino-2-pyridyl)-phenyl-amine | 2-N,6-N-diphe...)
Show SMILES N(c1ccccc1)c1cccc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N3/c1-3-8-14(9-4-1)18-16-12-7-13-17(20-16)19-15-10-5-2-6-11-15/h1-13H,(H2,18,19,20)
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n/an/an/an/a 1.17E+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))		BDBM33065
PNG
(1-[[2,3-bis(2-furyl)quinoxalin-6-yl]carbamoyl]ison...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H24N4O5/c1-2-32-24(30)16-9-11-29(12-10-16)25(31)26-17-7-8-18-19(15-17)28-23(21-6-4-14-34-21)22(27-18)20-5-3-13-33-20/h3-8,13-16H,2,9-12H2,1H3,(H,26,31)
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n/an/an/an/a 1.18E+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))		BDBM33197
PNG
(1-(2-methoxyphenyl)-5-phenyl-4-imidazoline-2-thion...)
Show SMILES COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
Show InChI InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)18-14(11-17-16(18)20)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)
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n/an/an/an/a 1.23E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33183
PNG
(5-[[5-(5-chloranyl-2-nitro-phenyl)furan-2-yl]methy...)
Show SMILES [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C15H8ClN3O6/c16-7-1-3-11(19(23)24)9(5-7)12-4-2-8(25-12)6-10-13(20)17-15(22)18-14(10)21/h1-6H,(H2-,17,18,20,21,22)
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n/an/an/an/a 1.24E+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))		BDBM54714
PNG
(3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phe...)
Show SMILES COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O
Show InChI InChI=1S/C22H21ClN4O4/c1-13-18(22(30)27(25(13)2)15-7-5-4-6-8-15)24-19-17(23)20(28)26(21(19)29)14-9-11-16(31-3)12-10-14/h4-12,24,28-29H,1-3H3
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n/an/an/an/a 1.24E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))		BDBM33077
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-(3-hydroxy...)
Show SMILES OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H18N4O4/c25-9-3-8-21-20(26)22-13-6-7-14-15(12-13)24-19(17-5-2-11-28-17)18(23-14)16-4-1-10-27-16/h1-2,4-7,10-12,25H,3,8-9H2,(H2,21,22,26)
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n/an/an/an/a 1.25E+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
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