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Compile Data Set for Download or QSAR

Found 360 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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))
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
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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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))
BDBM33199
PNG
(3-benzyl-7-methyl-8-(5-methyl-2-furyl)xanthine | 3...)
Show SMILES Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
Show InChI InChI=1S/C18H16N4O3/c1-11-8-9-13(25-11)15-19-16-14(21(15)2)17(23)20-18(24)22(16)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,23,24)
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n/an/an/an/a 1.94E+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))
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))
BDBM33201
PNG
(2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...)
Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O
Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
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n/an/an/an/a 2.87E+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))
BDBM33138
PNG
(MLS000394005 | N-[4-(diethylamino)-3-[(2-methoxyph...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC
Show InChI InChI=1S/C24H26FN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)
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n/an/an/an/a 1.22E+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))
BDBM33139
PNG
(3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
Show InChI InChI=1S/C18H16O3/c1-12-7-8-13(2)14(11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/an/an/a 8.74E+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))
BDBM33140
PNG
(4-bromanyl-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]...)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C18H16BrNO3/c1-20-16-9-6-13(19)11-15(18(16)22)17(21)10-5-12-3-7-14(23-2)8-4-12/h3-11H,1-2H3,(H,20,22)/b10-5+
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n/an/an/an/a 1.50E+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))
BDBM33141
PNG
(5-bromanyl-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Show InChI InChI=1S/C17H13BrO4/c1-22-13-6-2-11(3-7-13)4-8-15(19)14-10-12(18)5-9-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b8-4+
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n/an/an/an/a 1.41E+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))
BDBM33142
PNG
(MLS000375030 | N-[3-(4-chloroanilino)-1,4-diketo-2...)
Show SMILES Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H15ClN2O3/c24-15-10-12-16(13-11-15)25-19-20(26-23(29)14-6-2-1-3-7-14)22(28)18-9-5-4-8-17(18)21(19)27/h1-13,25H,(H,26,29)
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n/an/an/an/a 2.91E+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))
BDBM33143
PNG
((4E)-2,3-dihydroxy-4-[[(2-methylimino-4-thiophen-2...)
Show SMILES CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C15H13N3O3S2/c1-16-15-18(10(8-23-15)12-3-2-6-22-12)17-7-9-4-5-11(19)14(21)13(9)20/h2-8,19-21H,1H3
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n/an/an/an/a 5.71E+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))
BDBM33144
PNG
(1-(2-chlorophenyl)-5-phenyl-4-imidazoline-2-thione...)
Show SMILES Clc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H11ClN2S/c16-12-8-4-5-9-13(12)18-14(10-17-15(18)19)11-6-2-1-3-7-11/h1-10H,(H,17,19)
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n/an/an/an/a 2.23E+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))
BDBM32312
PNG
((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Show SMILES COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C23H24O7/c1-27-17-9-13(10-18(28-2)22(17)25)7-15-5-6-16(21(15)24)8-14-11-19(29-3)23(26)20(12-14)30-4/h7-12,25-26H,5-6H2,1-4H3/b15-7+,16-8+
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n/an/an/an/a 3.90E+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))
BDBM33145
PNG
(3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)
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n/an/an/an/a 6.41E+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))
BDBM33146
PNG
((Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidi...)
Show SMILES CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1
Show InChI InChI=1S/C19H18N2O4S/c1-4-25-19(24)14(9-12-6-5-7-13(22)8-12)16-20-17(23)15-10(2)11(3)26-18(15)21-16/h5-9,22H,4H2,1-3H3,(H,20,21,23)
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n/an/an/an/a 9.56E+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))
BDBM33147
PNG
(5-methoxy-2-methyl-1,4-naphthoquinone | 5-methoxy-...)
Show SMILES COc1cccc2C(=O)C(C)=CC(=O)c12
Show InChI InChI=1S/C12H10O3/c1-7-6-9(13)11-8(12(7)14)4-3-5-10(11)15-2/h3-6H,1-2H3
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n/an/an/an/a 2.84E+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))
BDBM33148
PNG
((5E)-3-benzyl-5-[(5-methyl-2-furyl)methylene]hydan...)
Show SMILES Cc1ccc(\C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1
Show InChI InChI=1S/C16H14N2O3/c1-11-7-8-13(21-11)9-14-15(19)18(16(20)17-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b14-9+
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n/an/an/an/a 2.73E+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))
BDBM32313
PNG
(3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C16H11ClO3/c17-13-7-3-1-5-11(13)9-10-14(18)12-6-2-4-8-15(19)16(12)20/h1-10H,(H,19,20)/b10-9+
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n/an/an/an/a 9.01E+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))
BDBM33149
PNG
(2-acetamido-4,6-dibromo-7-hydroxy-1-benzothiophene...)
Show SMILES CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
Show InChI InChI=1S/C13H11Br2NO4S/c1-3-20-13(19)9-8-6(14)4-7(15)10(18)11(8)21-12(9)16-5(2)17/h4,18H,3H2,1-2H3,(H,16,17)
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n/an/an/an/a 1.78E+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))
BDBM33150
PNG
(3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(13(2)11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/an/an/a 5.11E+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))
BDBM33151
PNG
((5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-(thioph...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=Cc2cccs2)C1=O
Show InChI InChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)17-14(18)13(16-15(17)20)9-12-3-2-8-21-12/h2-9H,1H3,(H,16,20)
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n/an/an/an/a 3.86E+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))
BDBM33152
PNG
((Z)-2-butenedioate;4-[[2-(methylaminomethyl)phenyl...)
Show SMILES CNCc1ccccc1Sc1ccc(O)c(O)c1
Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-14(10)18-11-6-7-12(16)13(17)8-11/h2-8,15-17H,9H2,1H3
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n/an/an/an/a 3.17E+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))
BDBM33153
PNG
((5Z)-5-(2-furanylmethylidene)-3-(2-methylpropyl)-2...)
Show SMILES CC(C)CN1C(=S)N\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C12H14N2O2S/c1-8(2)7-14-11(15)10(13-12(14)17)6-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,17)/b10-6-
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n/an/an/an/a 1.10E+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))
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))
BDBM33155
PNG
(MLS000666146 | N-(2,3-di-2-furyl-6-quinoxalinyl)-4...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C26H22N6O3/c33-26(32-13-11-31(12-14-32)23-7-1-2-10-27-23)28-18-8-9-19-20(17-18)30-25(22-6-4-16-35-22)24(29-19)21-5-3-15-34-21/h1-10,15-17H,11-14H2,(H,28,33)
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n/an/an/an/a 5.94E+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))
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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n/an/an/an/a 970n/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))
BDBM33157
PNG
(MLS000687602 | SMR000283375 | [2,3-bis(2-furanyl)-...)
Show SMILES O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H14N2O3/c26-23(15-6-2-1-3-7-15)16-10-11-17-18(14-16)25-22(20-9-5-13-28-20)21(24-17)19-8-4-12-27-19/h1-14H
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n/an/an/an/a 9.94E+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))
BDBM33158
PNG
(MLS000392976 | N-[3-[(4-bromophenyl)sulfamoyl]phen...)
Show SMILES Brc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc4SCC(=O)Nc4c3)c2)cc1
Show InChI InChI=1S/C21H16BrN3O4S2/c22-14-5-7-15(8-6-14)25-31(28,29)17-3-1-2-16(11-17)23-21(27)13-4-9-19-18(10-13)24-20(26)12-30-19/h1-11,25H,12H2,(H,23,27)(H,24,26)
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n/an/an/an/a 5.81E+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))
BDBM33159
PNG
(MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...)
Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)
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n/an/an/an/a 6.59E+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))
BDBM33160
PNG
(1-benzyl-3-chloro-4-(2-hydroxy-5-methyl-anilino)-3...)
Show SMILES Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1
Show InChI InChI=1S/C18H15ClN2O3/c1-11-7-8-14(22)13(9-11)20-16-15(19)17(23)21(18(16)24)10-12-5-3-2-4-6-12/h2-9,20,22H,10H2,1H3
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n/an/an/an/a 1.38E+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))
BDBM33161
PNG
((8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methyli...)
Show SMILES CC1CC2C(NC(=S)N=C2C(C1)=Cc1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H20F2N2S/c1-13-8-16(10-14-4-2-6-17(23)11-14)21-19(9-13)20(25-22(27)26-21)15-5-3-7-18(24)12-15/h2-7,10-13,19-20H,8-9H2,1H3,(H,25,27)
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n/an/an/an/a 1.52E+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))
BDBM33162
PNG
((4E)-2,3-dihydroxy-4-[[2-(2-morpholin-4-ylsulfonyl...)
Show SMILES Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C17H18N4O8S/c22-14-4-1-11(16(23)17(14)24)10-18-19-13-3-2-12(21(25)26)9-15(13)30(27,28)20-5-7-29-8-6-20/h1-4,9,22-24H,5-8,10H2
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n/an/an/an/a 4.48E+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))
BDBM33163
PNG
(MLS000677960 | SMR000285999 | acetic acid;2-methyl...)
Show SMILES Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=C1C=CC(=O)C=C1
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))
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))
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O
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))
BDBM32319
PNG
((5Z)-2-morpholino-5-[[5-(p-tolyl)-2-furyl]methylen...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1
Show InChI InChI=1S/C19H18N2O3S/c1-13-2-4-14(5-3-13)16-7-6-15(24-16)12-17-18(22)20-19(25-17)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3/b17-12-
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n/an/an/an/a 2.00E+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))
BDBM33166
PNG
(3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-(2-methox...)
Show SMILES COc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FN5OS/c1-25-16-5-3-2-4-15(16)24-17(22-23-18(24)26)14-10-13(20-21-14)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,21)(H,23,26)
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n/an/an/an/a 5.04E+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))
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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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))
BDBM33168
PNG
(MLS000708356 | N-[5-[(4-chloranylphenoxy)methyl]-1...)
Show SMILES Clc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1
Show InChI InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)21-8-12-17-18-14(22-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
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n/an/an/an/a 8.07E+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))
BDBM33169
PNG
((3-chloro-4,5-dimethoxy-benzyl)-(4-pyrrolidinophen...)
Show SMILES COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
Show InChI InChI=1S/C19H23ClN2O2/c1-23-18-12-14(11-17(20)19(18)24-2)13-21-15-5-7-16(8-6-15)22-9-3-4-10-22/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3
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n/an/an/an/a 5.30E+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))
BDBM33170
PNG
(4-(2-chloranyl-5-ethenylsulfonyl-4-nitro-thiophen-...)
Show SMILES [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)(=O)C=C
Show InChI InChI=1S/C10H11ClN2O5S2/c1-2-20(16,17)10-8(13(14)15)7(9(11)19-10)12-3-5-18-6-4-12/h2H,1,3-6H2
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n/an/an/an/a 5.46E+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))
BDBM33171
PNG
(2-(4-fluorophenyl)-1H-perimidine | MLS000687139 | ...)
Show SMILES Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H11FN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)
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n/an/an/an/a 7.63E+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))
BDBM33172
PNG
(2-(2-furanyl)-1H-perimidine | 2-(2-furyl)-1H-perim...)
Show SMILES c1coc(c1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C15H10N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9H,(H,16,17)
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n/an/an/an/a 6.32E+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))
BDBM33173
PNG
((5E)-5-(2-furanylmethylidene)-3-phenyl-2-sulfanyli...)
Show SMILES O=C1N(C(=S)NC1=Cc1ccco1)c1ccccc1
Show InChI InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)15-14(19)16(13)10-5-2-1-3-6-10/h1-9H,(H,15,19)
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n/an/an/an/a 1.48E+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))
BDBM32320
PNG
(MLS000766035 | SMR000279741 | cid_776370)
Show SMILES O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
Show InChI InChI=1S/C18H14N2O2/c21-17-11-5-1-2-6-12(11)18-15-13(19-22-18)7-8-14(16(15)17)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2
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n/an/an/an/a 2.48E+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))
BDBM33174
PNG
(2-[[(5Z)-5-(4-bromobenzylidene)-4-keto-2-thiazolin...)
Show SMILES CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(Br)cc1
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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n/an/an/an/a 550n/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))
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
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n/an/an/an/a 5.35E+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))
BDBM33176
PNG
((2E)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/an/an/a 1.69E+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))
BDBM33177
PNG
(1-(2-furanylmethyl)-2-[(2-methoxyphenyl)-oxomethyl...)
Show SMILES CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1OC
Show InChI InChI=1S/C27H22N4O6/c1-3-36-27(34)20-15-19-23(28-22-12-6-7-13-30(22)26(19)33)31(16-17-9-8-14-37-17)24(20)29-25(32)18-10-4-5-11-21(18)35-2/h4-15H,3,16H2,1-2H3/b29-24+
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n/an/an/an/a 3.45E+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
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