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PubChem AID 1330

Compile data set for download or QSAR
Found 125 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCL-W


(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-W


(Homo sapiens (Human))
BDBM32261
PNG
(MLS000081169 | N,N-diethyl-4-(3-pyridin-3-yl-[1,2,...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C18H18N6S/c1-3-23(4-2)15-9-7-13(8-10-15)17-22-24-16(20-21-18(24)25-17)14-6-5-11-19-12-14/h5-12H,3-4H2,1-2H3
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n/an/an/an/a 1.20E+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-W


(Homo sapiens (Human))
BDBM32265
PNG
(4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoli...)
Show SMILES CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
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n/an/an/an/a 2.20E+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
BCL-W


(Homo sapiens (Human))
BDBM32267
PNG
(6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoli...)
Show SMILES COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20)
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n/an/an/an/a 3.86E+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
BCL-W


(Homo sapiens (Human))
BDBM32268
PNG
(6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...)
Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)
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n/an/an/an/a 3.68E+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
BCL-W


(Homo sapiens (Human))
BDBM29643
PNG
((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
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n/an/an/an/a 9.95E+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
BCL-W


(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
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 40n/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-W


(Homo sapiens (Human))
BDBM31713
PNG
(1-Cyclopropyl-3-(2,3-di-furan-2-yl-quinoxalin-6-yl...)
Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H16N4O3/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)
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n/an/an/an/a 1.64E+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-W


(Homo sapiens (Human))
BDBM32275
PNG
((4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-py...)
Show SMILES Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
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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-W


(Homo sapiens (Human))
BDBM33076
PNG
(2,3-bis(2-furanyl)-6-methoxyquinoxaline | 2,3-bis(...)
Show SMILES COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C17H12N2O3/c1-20-11-6-7-12-13(10-11)19-17(15-5-3-9-22-15)16(18-12)14-4-2-8-21-14/h2-10H,1H3
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n/an/an/an/a 2.83E+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-W


(Homo sapiens (Human))
BDBM32279
PNG
(4-(4-carbethoxyanilino)quinazoline-2-carboxylic ac...)
Show SMILES CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
Show InChI InChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
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n/an/an/an/a 2.67E+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
BCL-W


(Homo sapiens (Human))
BDBM33087
PNG
(2,3-bis(2-furanyl)-N-(phenylmethyl)-6-quinoxalinec...)
Show SMILES O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C24H17N3O3/c28-24(25-15-16-6-2-1-3-7-16)17-10-11-18-19(14-17)27-23(21-9-5-13-30-21)22(26-18)20-8-4-12-29-20/h1-14H,15H2,(H,25,28)
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n/an/an/an/a 6.03E+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
BCL-W


(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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n/an/an/an/a 1.56E+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
BCL-W


(Homo sapiens (Human))
BDBM32295
PNG
((5Z)-3-ethyl-5-[(2E)-2-(1-ethyl-4-quinolinylidene)...)
Show SMILES CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O
Show InChI InChI=1S/C18H18N2OS2/c1-3-19-12-11-13(14-7-5-6-8-15(14)19)9-10-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3/b13-9+,16-10-
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n/an/an/an/a 1.59E+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-W


(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 2.75E+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-W


(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 5.13E+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
BCL-W


(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 1.48E+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-W


(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 2.31E+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
BCL-W


(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 6.62E+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
BCL-W


(Homo sapiens (Human))
BDBM33192
PNG
(3,4,5-trihydroxy-N'-[(1Z)-1-(4-nitrophenyl)eth...)
Show SMILES CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O6/c1-8(9-2-4-11(5-3-9)18(23)24)16-17-15(22)10-6-12(19)14(21)13(20)7-10/h2-7,19-21H,1H3,(H,17,22)
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n/an/an/an/a 4.03E+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
BCL-W


(Homo sapiens (Human))
BDBM32330
PNG
((2Z)-2-(5-fluoranyl-2-oxidanylidene-indol-3-yl)-2-...)
Show SMILES Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H8FN3OS/c1-7-6-20-14(17-7)10(5-16)12-9-4-8(15)2-3-11(9)18-13(12)19/h2-4,6H,1H3,(H,18,19)
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n/an/an/an/a 1.64E+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
BCL-W


(Homo sapiens (Human))
BDBM32035
PNG
(MLS000080234 | SMR000040438 | cid_659413)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
Show InChI InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2
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n/an/an/an/a 8.37E+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
BCL-W


(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-W


(Homo sapiens (Human))
BDBM32264
PNG
(4-(1-azepanyl)-2-(2-pyridinyl)quinazoline | 4-(aze...)
Show SMILES C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C19H20N4/c1-2-8-14-23(13-7-1)19-15-9-3-4-10-16(15)21-18(22-19)17-11-5-6-12-20-17/h3-6,9-12H,1-2,7-8,13-14H2
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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/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(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 3.25E+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
BCL-W


(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 3.18E+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-W


(Homo sapiens (Human))
BDBM29644
PNG
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/an/an/a 1.90E+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-W


(Homo sapiens (Human))
BDBM33078
PNG
(MLS000530834 | N-(tert-butyl)-2-(4-{[(2-oxo-2,3-di...)
Show SMILES CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C20H24N4O3/c1-20(2,3)24-18(25)12-27-15-7-4-13(5-8-15)11-21-14-6-9-16-17(10-14)23-19(26)22-16/h4-10,21H,11-12H2,1-3H3,(H,24,25)(H2,22,23,26)
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n/an/an/an/a 6.29E+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
BCL-W


(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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n/an/an/an/a 920n/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-W


(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 1.02E+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-W


(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 2.98E+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
BCL-W


(Homo sapiens (Human))
BDBM32327
PNG
(4-amino-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)qu...)
Show SMILES COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
Show InChI InChI=1S/C17H24N4O3S/c1-22-14-10-12-13(11-15(14)23-2)19-17(25)21(16(12)18)5-3-4-20-6-8-24-9-7-20/h10-11H,3-9,18H2,1-2H3
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n/an/an/an/a 9.25E+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
BCL-W


(Homo sapiens (Human))
BDBM32328
PNG
(4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C18H20N4O4S2/c1-25-15-9-13-14(10-16(15)26-2)21-18(27)22-17(13)20-8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H2,20,21,22,27)
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n/an/an/an/a 670n/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-W


(Homo sapiens (Human))
BDBM32263
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N6S/c1-13-11-17(22-21-13)19-23-24-20-26(19)25-18(12-27-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
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n/an/an/an/a 7.58E+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
BCL-W


(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 1.82E+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-W


(Homo sapiens (Human))
BDBM33072
PNG
(1,2,3-trimethyl-2,3-dihydro-1H-perimidine | 1,2,3-...)
Show SMILES CC1N(C)c2cccc3cccc(N1C)c23
Show InChI InChI=1S/C14H16N2/c1-10-15(2)12-8-4-6-11-7-5-9-13(14(11)12)16(10)3/h4-10H,1-3H3
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n/an/an/an/a 2.26E+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
BCL-W


(Homo sapiens (Human))
BDBM33075
PNG
(2,3-bis(2-furanyl)-N-[3-(trifluoromethyl)phenyl]-6...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)15-4-1-5-16(13-15)28-23(31)14-8-9-17-18(12-14)30-22(20-7-3-11-33-20)21(29-17)19-6-2-10-32-19/h1-13H,(H,28,31)
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n/an/an/an/a 9.02E+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
BCL-W


(Homo sapiens (Human))
BDBM33084
PNG
(5-[4-(dimethylamino)phenyl]imino-1-(2-hydroxyethyl...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O
Show InChI InChI=1S/C17H18N4O3/c1-11-14(10-18)16(23)21(8-9-22)17(24)15(11)19-12-4-6-13(7-5-12)20(2)3/h4-7,22H,8-9H2,1-3H3/b19-15+
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n/an/an/an/a 1.44E+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
BCL-W


(Homo sapiens (Human))
BDBM29658
PNG
(MLS000557330 | N-[3-Cyano-1-furan-2-ylmethyl-8-met...)
Show SMILES Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Show InChI InChI=1S/C26H19N5O3/c1-16-6-3-8-18(12-16)25(32)29-23-19(14-27)13-21-24(31(23)15-20-9-5-11-34-20)28-22-17(2)7-4-10-30(22)26(21)33/h3-13H,15H2,1-2H3/b29-23+
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n/an/an/an/a 4.13E+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-W


(Homo sapiens (Human))
BDBM33094
PNG
(4-({2-[(4-chlorobenzyl)oxy]-3-ethoxybenzyl}amino)p...)
Show SMILES CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO3/c1-2-26-21-5-3-4-17(14-24-19-10-12-20(25)13-11-19)22(21)27-15-16-6-8-18(23)9-7-16/h3-13,24-25H,2,14-15H2,1H3
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n/an/an/an/a 1.02E+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-W


(Homo sapiens (Human))
BDBM32289
PNG
(2-[(1-prop-2-ynyl-3-indolyl)methylidene]indene-1,3...)
Show SMILES O=C1C(=Cc2cn(CC#C)c3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C21H13NO2/c1-2-11-22-13-14(15-7-5-6-10-19(15)22)12-18-20(23)16-8-3-4-9-17(16)21(18)24/h1,3-10,12-13H,11H2
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n/an/an/an/a 9.02E+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
BCL-W


(Homo sapiens (Human))
BDBM32297
PNG
(MLS000553768 | N-(2-furanylmethyl)-N-[2-[[(E)-(3-m...)
Show SMILES COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C21H21N3O6S/c1-29-20-12-16(9-10-19(20)25)13-22-23-21(26)15-24(14-17-6-5-11-30-17)31(27,28)18-7-3-2-4-8-18/h2-13,25H,14-15H2,1H3,(H,23,26)
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n/an/an/an/a 1.53E+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-W


(Homo sapiens (Human))
BDBM46313
PNG
((E)-1-phenyl-3-(5-phenyl-2-furanyl)-2-propen-1-one...)
Show SMILES O=C(\C=C\c1ccc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14O2/c20-18(15-7-3-1-4-8-15)13-11-17-12-14-19(21-17)16-9-5-2-6-10-16/h1-14H/b13-11+
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n/an/an/an/a 1.39E+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-W


(Homo sapiens (Human))
BDBM33126
PNG
(MLS000392298 | N-[3-[(1,1-diketothiolan-3-yl)amino...)
Show SMILES CC(=O)NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H16N2O5S/c1-9(19)17-13-14(18-10-6-7-24(22,23)8-10)16(21)12-5-3-2-4-11(12)15(13)20/h2-5,10,18H,6-8H2,1H3,(H,17,19)
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n/an/an/an/a 3.49E+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
BCL-W


(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 9.76E+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
BCL-W


(Homo sapiens (Human))
BDBM32321
PNG
(2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-2-1-11-19-20-14(22(11)21-13)10-3-5-16-6-4-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 1.11E+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-W


(Homo sapiens (Human))
BDBM32323
PNG
(MLS000685782 | N-[3-(3-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C17H13N5O2/c1-11-19-20-16-8-7-14(21-22(11)16)12-4-2-5-13(10-12)18-17(23)15-6-3-9-24-15/h2-10H,1H3,(H,18,23)
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n/an/an/an/a 7.89E+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
BCL-W


(Homo sapiens (Human))
BDBM33189
PNG
(MLS000727927 | N'-[(1E)-(2,4-dimethoxy-5-nitro...)
Show SMILES COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O5/c1-23-13-8-14(24-2)12(19(21)22)7-11(13)9-17-18-15(20)10-3-5-16-6-4-10/h3-9H,1-2H3,(H-,16,17,18,20)
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n/an/an/an/a 2.57E+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-W


(Homo sapiens (Human))
BDBM33070
PNG
(4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxy-phenol ...)
Show SMILES CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
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n/an/an/an/a 3.17E+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/Q2BR8QM3
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM32281
PNG
(6-(3,4-Dimethoxy-phenyl)-3-furan-2-yl-7H-[1,2,4]tr...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C16H14N4O3S/c1-21-12-6-5-10(8-14(12)22-2)11-9-24-16-18-17-15(20(16)19-11)13-4-3-7-23-13/h3-8H,9H2,1-2H3
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n/an/an/an/a 4.24E+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 (2008)


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


(Homo sapiens (Human))
BDBM32284
PNG
((6E)-2-methoxy-6-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O
Show InChI InChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a 490n/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-W


(Homo sapiens (Human))
BDBM32286
PNG
(4-(4-carbomethoxyanilino)quinazoline-2-carboxylic ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
Show InChI InChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 1.67E+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-W


(Homo sapiens (Human))
BDBM33109
PNG
(4-(1H-Perimidin-2-yl)-phenylamine | 4-(1H-perimidi...)
Show SMILES Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H13N3/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,18H2,(H,19,20)
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n/an/an/an/a 1.57E+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-W


(Homo sapiens (Human))
BDBM32299
PNG
(2-[(2Z)-2-[(2E)-2-[[3-(2-hydroxyethyl)-5-methoxy-1...)
Show SMILES CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Show InChI InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
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n/an/an/an/a 2.21E+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-W


(Homo sapiens (Human))
BDBM32309
PNG
(6-(2,4-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-19(20(13-14)27-2)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.63E+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-W


(Homo sapiens (Human))
BDBM33127
PNG
(MLS000392290 | N-[3-(3-chloro-4-methyl-anilino)-1,...)
Show SMILES Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl
Show InChI InChI=1S/C24H17ClN2O3/c1-14-11-12-16(13-19(14)25)26-20-21(27-24(30)15-7-3-2-4-8-15)23(29)18-10-6-5-9-17(18)22(20)28/h2-13,26H,1H3,(H,27,30)
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n/an/an/an/a 4.34E+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
BCL-W


(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 2.60E+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
BCL-W


(Homo sapiens (Human))
BDBM33136
PNG
(4-bromanyl-2-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...)
Show SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
Show InChI InChI=1S/C20H20BrNO3/c1-3-22-18-11-8-15(21)13-17(20(18)24)19(23)12-7-14-5-9-16(10-6-14)25-4-2/h5-13H,3-4H2,1-2H3,(H,22,24)/b12-7+
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n/an/an/an/a 2.33E+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-W


(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 3.52E+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
BCL-W


(Homo sapiens (Human))
BDBM32317
PNG
(2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N'-[(...)
Show SMILES COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12
Show InChI InChI=1S/C20H19N3O4S/c1-12-8-18(15-4-3-5-17(27-2)20(15)22-12)28-11-19(26)23-21-10-13-6-7-14(24)9-16(13)25/h3-10,24-25H,11H2,1-2H3,(H,23,26)
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n/an/an/an/a 5.52E+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-W


(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 8.90E+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-W


(Homo sapiens (Human))
BDBM43204
PNG
(1-(2-cyano-4,5-dimethoxy-phenyl)-3-(2-methoxyethyl...)
Show SMILES COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-15-13(20)16-10-7-12(19-3)11(18-2)6-9(10)8-14/h6-7H,4-5H2,1-3H3,(H2,15,16,20)
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n/an/an/an/a 1.46E+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-W


(Homo sapiens (Human))
BDBM32326
PNG
(4-amino-6,7-dimethoxy-3-(2-phenylethyl)-2-quinazol...)
Show SMILES COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
Show InChI InChI=1S/C18H19N3O2S/c1-22-15-10-13-14(11-16(15)23-2)20-18(24)21(17(13)19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9,19H2,1-2H3
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n/an/an/an/a 1.51E+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-W


(Homo sapiens (Human))
BDBM34967
PNG
((4E)-4-[[[4-(2-furanyl)-2-(2-methoxyethylimino)-3-...)
Show SMILES COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H17N3O5S/c1-24-8-6-18-17-20(12(10-26-17)14-3-2-7-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,7,9-10,21-23H,6,8H2,1H3
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n/an/an/an/a 1.81E+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
BCL-W


(Homo sapiens (Human))
BDBM32259
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(4-methyl...)
Show SMILES Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Show InChI InChI=1S/C15H13N5S2/c1-9-3-4-16-12(7-9)19-14-18-11(8-22-14)13-10(2)17-15-20(13)5-6-21-15/h3-8H,1-2H3,(H,16,18,19)
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n/an/an/an/a 1.57E+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-W


(Homo sapiens (Human))
BDBM32262
PNG
(5-benzyl-8-methyl-3-(methylthio)-[1,2,4]triazin[5,...)
Show SMILES CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C18H16N4S/c1-12-8-9-15-14(10-12)16-17(19-18(23-2)21-20-16)22(15)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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n/an/an/an/a 2.96E+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-W


(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
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
BCL-W


(Homo sapiens (Human))
BDBM43200
PNG
(2-(3,4-dimethoxyphenyl)-N-[(4Z)-3-keto-4-(5-methyl...)
Show SMILES COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC
Show InChI InChI=1S/C24H22N2O5/c1-14-4-8-20-18(10-14)26-24(31-20)17-7-6-16(13-19(17)27)25-23(28)12-15-5-9-21(29-2)22(11-15)30-3/h4-11,13,27H,12H2,1-3H3,(H,25,28)
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n/an/an/an/a 1.02E+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-W


(Homo sapiens (Human))
BDBM32300
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-phenyl-...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H13N5S/c1-11-14(21-9-5-8-17-15(21)18-11)13-10-22-16(20-13)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 8.71E+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
BCL-W


(Homo sapiens (Human))
BDBM32306
PNG
(2-[(4-chloranyl-3-methyl-phenoxy)methyl]imidazo[1,...)
Show SMILES Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
Show InChI InChI=1S/C14H12ClN3O/c1-10-7-12(3-4-13(10)15)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9H2,1H3
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n/an/an/an/a 1.98E+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-W


(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 2.36E+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
BCL-W


(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 5.05E+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
BCL-W


(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 4.24E+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-W


(Homo sapiens (Human))
BDBM32324
PNG
(6-(2-methoxy-5-methyl-phenyl)benzo[d][2]benzazepin...)
Show SMILES COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C22H17NO3/c1-14-11-12-20(26-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 2.42E+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-W


(Homo sapiens (Human))
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 3.75E+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-W


(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-W


(Homo sapiens (Human))
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/an/an/a 1.11E+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
BCL-W


(Homo sapiens (Human))
BDBM32266
PNG
(2,3-bis(2-furyl)-N-homoveratryl-quinoxaline-6-carb...)
Show SMILES COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-32-21-10-7-17(15-24(21)33-2)11-12-28-27(31)18-8-9-19-20(16-18)30-26(23-6-4-14-35-23)25(29-19)22-5-3-13-34-22/h3-10,13-16H,11-12H2,1-2H3,(H,28,31)
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n/an/an/an/a 1.22E+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-W


(Homo sapiens (Human))
BDBM33050
PNG
(2,3-bis(2-furanyl)-N-(2-pyridinylmethyl)-6-quinoxa...)
Show SMILES O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H16N4O3/c28-23(25-14-16-5-1-2-10-24-16)15-8-9-17-18(13-15)27-22(20-7-4-12-30-20)21(26-17)19-6-3-11-29-19/h1-13H,14H2,(H,25,28)
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n/an/an/an/a 7.22E+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
BCL-W


(Homo sapiens (Human))
BDBM46311
PNG
(1,3-benzodioxol-5-yl(2,4-dimethylbenzyl)amine | 1,...)
Show SMILES Cc1ccc(CNc2ccc3OCOc3c2)c(C)c1
Show InChI InChI=1S/C16H17NO2/c1-11-3-4-13(12(2)7-11)9-17-14-5-6-15-16(8-14)19-10-18-15/h3-8,17H,9-10H2,1-2H3
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n/an/an/an/a 4.42E+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-W


(Homo sapiens (Human))
BDBM32273
PNG
(2,8-dimethyl-5,6-dihydrodipyrrolo[1,2-b:1',2'-e]py...)
Show SMILES Cc1cc2-c3ccc(C)n3CCn2c1
Show InChI InChI=1S/C12H14N2/c1-9-7-12-11-4-3-10(2)14(11)6-5-13(12)8-9/h3-4,7-8H,5-6H2,1-2H3
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n/an/an/an/a 1.36E+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-W


(Homo sapiens (Human))
BDBM32277
PNG
((m-anisylideneamino)-([1,2,4]triazolo[3,4-a]phthal...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-6-4-5-12(9-13)10-18-20-16-14-7-2-3-8-15(14)17-21-19-11-23(17)22-16/h2-9,11H,10H2,1H3
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n/an/an/an/a 2.43E+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
BCL-W


(Homo sapiens (Human))
BDBM33089
PNG
((3-methyl-4-pyrrolidino-phenyl)amine;hydrochloride...)
Show SMILES Cc1cc(N)ccc1N1CCCC1
Show InChI InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
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n/an/an/an/a 3.96E+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
BCL-W


(Homo sapiens (Human))
BDBM33092
PNG
(4-N,4-N-diethyl-1-N-(4-morpholin-4-ylquinazolin-2-...)
Show SMILES CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C22H27N5O/c1-3-26(4-2)18-11-9-17(10-12-18)23-22-24-20-8-6-5-7-19(20)21(25-22)27-13-15-28-16-14-27/h5-12H,3-4,13-16H2,1-2H3,(H,23,24,25)
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n/an/an/an/a 4.71E+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
BCL-W


(Homo sapiens (Human))
BDBM43202
PNG
(5-bromanyl-3-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2...)
Show SMILES CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Show InChI InChI=1S/C18H15BrO3/c1-2-12-3-5-13(6-4-12)7-9-16(20)15-11-14(19)8-10-17(21)18(15)22/h3-11H,2H2,1H3,(H,21,22)/b9-7+
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n/an/an/an/a 5.21E+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-W


(Homo sapiens (Human))
BDBM32291
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(3-pyrid...)
Show SMILES CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 1.73E+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-W


(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
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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n/an/an/an/a 170n/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-W


(Homo sapiens (Human))
BDBM33135
PNG
(3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(11-13(12)2)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 2.79E+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-W


(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 8.51E+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
BCL-W


(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 3.31E+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
BCL-W


(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 1.18E+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-W


(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 4.03E+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-W


(Homo sapiens (Human))
BDBM32314
PNG
(2-[4-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)prop...)
Show SMILES OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
Show InChI InChI=1S/C21H32N2O/c24-15-14-23-12-10-22(11-13-23)9-3-8-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16,24H,1-15H2
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n/an/an/an/a 1.66E+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-W


(Homo sapiens (Human))
BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
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n/an/an/an/a 6.14E+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
BCL-W


(Homo sapiens (Human))
BDBM33196
PNG
(MLS001013472 | N-[1,4-diketo-3-(o-anisidino)-2-nap...)
Show SMILES COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H16N2O4/c1-11(22)20-16-17(21-14-9-5-6-10-15(14)25-2)19(24)13-8-4-3-7-12(13)18(16)23/h3-10,21H,1-2H3,(H,20,22)
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n/an/an/an/a 4.00E+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
BCL-W


(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
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 550n/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-W


(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 4.93E+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
BCL-W


(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 1.47E+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
BCL-W


(Homo sapiens (Human))
BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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n/an/an/an/a 3.97E+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
BCL-W


(Homo sapiens (Human))
BDBM32283
PNG
(2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...)
Show SMILES COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C25H27N5O4S/c1-33-13-7-12-30-21(26)19(20-22(30)28-16-10-5-4-9-15(16)27-20)23(31)29-24-18(25(32)34-2)14-8-3-6-11-17(14)35-24/h4-5,9-10H,3,6-8,11-13,26H2,1-2H3,(H,29,31)
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n/an/an/an/a 2.34E+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
BCL-W


(Homo sapiens (Human))
BDBM32288
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(4-pyrid...)
Show SMILES CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-6-8-15-9-7-11)14-12-4-2-3-5-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 2.73E+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
BCL-W


(Homo sapiens (Human))
BDBM33103
PNG
(4-({2-[(2-chlorobenzyl)oxy]-3-ethoxybenzyl}amino)p...)
Show SMILES CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H22ClNO3/c1-2-26-21-9-5-7-16(14-24-18-10-12-19(25)13-11-18)22(21)27-15-17-6-3-4-8-20(17)23/h3-13,24-25H,2,14-15H2,1H3
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n/an/an/an/a 6.13E+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
BCL-W


(Homo sapiens (Human))
BDBM33110
PNG
(5-[(6-Bromo-2-hydroxy-naphthalen-1-ylmethylene)-am...)
Show SMILES Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C18H12BrN3O2/c19-11-2-4-13-10(7-11)1-6-17(23)14(13)9-20-12-3-5-15-16(8-12)22-18(24)21-15/h1-9,23H,(H2,21,22,24)
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n/an/an/an/a 4.15E+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
BCL-W


(Homo sapiens (Human))
BDBM32296
PNG
((E)-1-(4-methylphenyl)-3-[5-(4-methylphenyl)-2-fur...)
Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)20(22)13-11-19-12-14-21(23-19)18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+
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n/an/an/an/a 1.02E+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
BCL-W


(Homo sapiens (Human))
BDBM32298
PNG
((E)-1-phenyl-3-[5-(p-tolyl)-2-furyl]prop-2-en-1-on...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
Show InChI InChI=1S/C20H16O2/c1-15-7-9-17(10-8-15)20-14-12-18(22-20)11-13-19(21)16-5-3-2-4-6-16/h2-14H,1H3/b13-11+
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n/an/an/an/a 3.56E+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
BCL-W


(Homo sapiens (Human))
BDBM32304
PNG
(6-(2,5-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-20(27-2)19(13-14)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.80E+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-W


(Homo sapiens (Human))
BDBM32308
PNG
((Z)-1-phenyl-3-(5-phenyl-2-furanyl)-2-propen-1-one...)
Show SMILES O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14O2/c20-18(15-7-3-1-4-8-15)13-11-17-12-14-19(21-17)16-9-5-2-6-10-16/h1-14H/b13-11-
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n/an/an/an/a 1.06E+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-W


(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 1.49E+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-W


(Homo sapiens (Human))
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
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n/an/an/an/a 330n/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-W


(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 3.72E+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
BCL-W


(Homo sapiens (Human))
BDBM32270
PNG
(6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazo...)
Show SMILES COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
Show InChI InChI=1S/C15H19N3O3S/c1-19-12-6-10-11(7-13(12)20-2)17-15(22)18-14(10)16-8-9-4-3-5-21-9/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,18,22)
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n/an/an/an/a 4.62E+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
BCL-W


(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
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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n/an/an/an/a 50n/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-W


(Homo sapiens (Human))
BDBM33071
PNG
(2,3-Di-furan-2-yl-quinoxaline-6-carboxylic acid (2...)
Show SMILES OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C19H15N3O4/c23-8-7-20-19(24)12-5-6-13-14(11-12)22-18(16-4-2-10-26-16)17(21-13)15-3-1-9-25-15/h1-6,9-11,23H,7-8H2,(H,20,24)
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n/an/an/an/a 1.12E+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-W


(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 2.58E+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
BCL-W


(Homo sapiens (Human))
BDBM46312
PNG
(4-(3-isopropoxypropylamino)-6,7-dimethoxy-1H-quina...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCCOC(C)C)c2cc1OC
Show InChI InChI=1S/C16H23N3O3S/c1-10(2)22-7-5-6-17-15-11-8-13(20-3)14(21-4)9-12(11)18-16(23)19-15/h8-10H,5-7H2,1-4H3,(H2,17,18,19,23)
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n/an/an/an/a 9.00E+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
BCL-W


(Homo sapiens (Human))
BDBM32282
PNG
(2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinox...)
Show SMILES CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H29N5O4S/c1-3-35-14-8-13-31-22(27)20(21-23(31)29-17-11-6-5-10-16(17)28-21)24(32)30-25-19(26(33)34-2)15-9-4-7-12-18(15)36-25/h5-6,10-11H,3-4,7-9,12-14,27H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.80E+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
BCL-W


(Homo sapiens (Human))
BDBM33091
PNG
(MLS000530401 | N-(2-(4-nitrophenyl)-1-{[2-(2,3,4-t...)
Show SMILES Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H17N4O7/c28-19-11-8-16(20(29)21(19)30)13-24-26-23(32)18(25-22(31)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(33)34/h1-13,29-30H,(H,25,31)(H,26,32)/q-1/p+1
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n/an/an/an/a 4.76E+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
BCL-W


(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 1.31E+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
BCL-W


(Homo sapiens (Human))
BDBM32294
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[[(E)-3-...)
Show SMILES CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H15N3O2S/c1-20(18-13-7-10-14-8-3-2-4-9-14)17-15-11-5-6-12-16(15)23(21,22)19-17/h2-13H,1H3/b10-7+,18-13?
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n/an/an/an/a 3.67E+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
BCL-W


(Homo sapiens (Human))
BDBM32301
PNG
((1E,2E)-3-phenylacrylaldehyde (1,1-dioxido-1,2-ben...)
Show SMILES OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C18H17N3O3S/c22-14-13-21(19-12-6-9-15-7-2-1-3-8-15)18-16-10-4-5-11-17(16)25(23,24)20-18/h1-12,22H,13-14H2/b9-6+,19-12?
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n/an/an/an/a 2.06E+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-W


(Homo sapiens (Human))
BDBM32303
PNG
(4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...)
Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3
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n/an/an/an/a 6.18E+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
BCL-W


(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 1.09E+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-W


(Homo sapiens (Human))
BDBM32322
PNG
(2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-5-4-11-19-20-14(22(11)21-13)10-3-1-2-6-16-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 1.41E+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-W


(Homo sapiens (Human))
BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
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n/an/an/an/a 1.59E+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
BCL-W


(Homo sapiens (Human))
BDBM46309
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[(5-meth...)
Show SMILES CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O3S/c1-10-7-8-11(20-10)9-15-17(2)14-12-5-3-4-6-13(12)21(18,19)16-14/h3-9H,1-2H3
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n/an/an/an/a 1.66E+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
* indicates data uncertainty>20%