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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'stornaiuolo' and Initial = 'm'   
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
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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800n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
Show InChI InChI=1S/C27H28N4O3/c1-5-34-25-9-7-6-8-24(25)28-29-26-18(4)30-31(27(26)33)22-14-21(15-23(32)16-22)20-12-10-19(11-13-20)17(2)3/h6-17,28,32H,5H2,1-4H3/b29-26-
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078026
PNG
(CHEMBL3417406)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
Show InChI InChI=1S/C24H23N5O3/c1-3-32-22-10-5-4-9-21(22)26-27-23-15(2)28-29(24(23)31)19-12-17(13-20(30)14-19)16-7-6-8-18(25)11-16/h4-14,26,30H,3,25H2,1-2H3/b27-23-
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O2/c1-5-33-24-12-7-6-11-23(24)27-28-25-18(2)29-31(26(25)32)22-10-8-9-20(17-22)19-13-15-21(16-14-19)30(3)4/h6-17,27H,5H2,1-4H3/b28-25-
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078016
PNG
(CHEMBL3417396)
Show SMILES CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C27H21N3OS/c1-19-23(17-24(20-11-5-2-6-12-20)21-13-7-3-8-14-21)26(31)30(29-19)27-28-25(18-32-27)22-15-9-4-10-16-22/h2-18,24H,1H3/b23-17+
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078024
PNG
(CHEMBL3417404)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
Show InChI InChI=1S/C23H21N5O3/c1-3-31-21-7-5-4-6-20(21)25-26-22-15(2)27-28(23(22)30)18-12-17(13-19(29)14-18)16-8-10-24-11-9-16/h4-14,25,29H,3H2,1-2H3/b26-22-
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
Show InChI InChI=1S/C27H28N4O3/c1-5-34-25-9-7-6-8-24(25)28-29-26-18(4)30-31(27(26)33)22-14-21(15-23(32)16-22)20-12-10-19(11-13-20)17(2)3/h6-17,28,32H,5H2,1-4H3/b29-26-
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C17H13N5OS/c1-11-13(9-15-18-7-8-19-15)16(23)22(21-11)17-20-14(10-24-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C20H15N3OS/c1-14-17(12-15-8-4-2-5-9-15)19(24)23(22-14)20-21-18(13-25-20)16-10-6-3-7-11-16/h2-13H,1H3/b17-12+
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O2/c1-5-33-24-12-7-6-11-23(24)27-28-25-18(2)29-31(26(25)32)22-10-8-9-20(17-22)19-13-15-21(16-14-19)30(3)4/h6-17,27H,5H2,1-4H3/b28-25-
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C17H13N5OS/c1-11-13(9-15-18-7-8-19-15)16(23)22(21-11)17-20-14(10-24-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+
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6.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078023
PNG
(CHEMBL3417403)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-
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9.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C24H17N3OS/c1-16-21(14-17-11-12-18-7-5-6-10-20(18)13-17)23(28)27(26-16)24-25-22(15-29-24)19-8-3-2-4-9-19/h2-15H,1H3/b21-14+
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1.26E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+
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1.29E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078016
PNG
(CHEMBL3417396)
Show SMILES CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C27H21N3OS/c1-19-23(17-24(20-11-5-2-6-12-20)21-13-7-3-8-14-21)26(31)30(29-19)27-28-25(18-32-27)22-15-9-4-10-16-22/h2-18,24H,1H3/b23-17+
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1.35E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C |c:14|
Show InChI InChI=1S/C27H28N4O3/c1-5-34-25-9-7-6-8-24(25)28-29-26-18(4)30-31(27(26)33)22-14-21(15-23(32)16-22)20-12-10-19(11-13-20)17(2)3/h6-17,28,32H,5H2,1-4H3/b29-26-
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1.55E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C17H13N5OS/c1-11-13(9-15-18-7-8-19-15)16(23)22(21-11)17-20-14(10-24-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+
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1.58E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078024
PNG
(CHEMBL3417404)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
Show InChI InChI=1S/C23H21N5O3/c1-3-31-21-7-5-4-6-20(21)25-26-22-15(2)27-28(23(22)30)18-12-17(13-19(29)14-18)16-8-10-24-11-9-16/h4-14,25,29H,3H2,1-2H3/b26-22-
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3.09E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078025
PNG
(CHEMBL3417405)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1 |c:14|
Show InChI InChI=1S/C22H20N4O3S/c1-3-29-19-8-5-4-7-18(19)23-24-21-14(2)25-26(22(21)28)16-11-15(12-17(27)13-16)20-9-6-10-30-20/h4-13,23,27H,3H2,1-2H3/b24-21-
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3.09E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19|
Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-
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3.39E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078020
PNG
(CHEMBL3417400)
Show SMILES CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:15|
Show InChI InChI=1S/C23H21N3O3S/c1-3-29-20-12-8-7-11-17(20)13-19(27)21-15(2)25-26(22(21)28)23-24-18(14-30-23)16-9-5-4-6-10-16/h4-12,14,21H,3,13H2,1-2H3
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6.31E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078021
PNG
(CHEMBL3417401)
Show SMILES CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:16|
Show InChI InChI=1S/C23H19N3O4S/c1-3-30-18-12-8-7-11-16(18)20(27)21(28)19-14(2)25-26(22(19)29)23-24-17(13-31-23)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3
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8.51E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078020
PNG
(CHEMBL3417400)
Show SMILES CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:15|
Show InChI InChI=1S/C23H21N3O3S/c1-3-29-20-12-8-7-11-17(20)13-19(27)21-15(2)25-26(22(21)28)23-24-18(14-30-23)16-9-5-4-6-10-16/h4-12,14,21H,3,13H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078016
PNG
(CHEMBL3417396)
Show SMILES CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C27H21N3OS/c1-19-23(17-24(20-11-5-2-6-12-20)21-13-7-3-8-14-21)26(31)30(29-19)27-28-25(18-32-27)22-15-9-4-10-16-22/h2-18,24H,1H3/b23-17+
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078026
PNG
(CHEMBL3417406)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
Show InChI InChI=1S/C24H23N5O3/c1-3-32-22-10-5-4-9-21(22)26-27-23-15(2)28-29(24(23)31)19-12-17(13-20(30)14-19)16-7-6-8-18(25)11-16/h4-14,26,30H,3,25H2,1-2H3/b27-23-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078025
PNG
(CHEMBL3417405)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1 |c:14|
Show InChI InChI=1S/C22H20N4O3S/c1-3-29-19-8-5-4-7-18(19)23-24-21-14(2)25-26(22(21)28)16-11-15(12-17(27)13-16)20-9-6-10-30-20/h4-13,23,27H,3H2,1-2H3/b24-21-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078024
PNG
(CHEMBL3417404)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1 |c:14|
Show InChI InChI=1S/C23H21N5O3/c1-3-31-21-7-5-4-6-20(21)25-26-22-15(2)27-28(23(22)30)18-12-17(13-19(29)14-18)16-8-10-24-11-9-16/h4-14,25,29H,3H2,1-2H3/b26-22-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078023
PNG
(CHEMBL3417403)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078021
PNG
(CHEMBL3417401)
Show SMILES CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:16|
Show InChI InChI=1S/C23H19N3O4S/c1-3-30-18-12-8-7-11-16(18)20(27)21(28)19-14(2)25-26(22(19)29)23-24-17(13-31-23)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078020
PNG
(CHEMBL3417400)
Show SMILES CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:15|
Show InChI InChI=1S/C23H21N3O3S/c1-3-29-20-12-8-7-11-17(20)13-19(27)21-15(2)25-26(22(21)28)23-24-18(14-30-23)16-9-5-4-6-10-16/h4-12,14,21H,3,13H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078021
PNG
(CHEMBL3417401)
Show SMILES CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:16|
Show InChI InChI=1S/C23H19N3O4S/c1-3-30-18-12-8-7-11-16(18)20(27)21(28)19-14(2)25-26(22(19)29)23-24-17(13-31-23)15-9-5-4-6-10-15/h4-13,19H,3H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078023
PNG
(CHEMBL3417403)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-
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Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078025
PNG
(CHEMBL3417405)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1 |c:14|
Show InChI InChI=1S/C22H20N4O3S/c1-3-29-19-8-5-4-7-18(19)23-24-21-14(2)25-26(22(21)28)16-11-15(12-17(27)13-16)20-9-6-10-30-20/h4-13,23,27H,3H2,1-2H3/b24-21-
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Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O2/c1-5-33-24-12-7-6-11-23(24)27-28-25-18(2)29-31(26(25)32)22-10-8-9-20(17-22)19-13-15-21(16-14-19)30(3)4/h6-17,27H,5H2,1-4H3/b28-25-
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Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078026
PNG
(CHEMBL3417406)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1 |c:14|
Show InChI InChI=1S/C24H23N5O3/c1-3-32-22-10-5-4-9-21(22)26-27-23-15(2)28-29(24(23)31)19-12-17(13-20(30)14-19)16-7-6-8-18(25)11-16/h4-14,26,30H,3,25H2,1-2H3/b27-23-
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,23H,3H2,1-2H3/b24-19+
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n/an/an/an/a 8.20E+3n/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Activation of Bax in human HuH7 cells assessed as inhibition of mitochondrial accumulation of fluorescent probe Mitotracker Red after 12 to 72 hrs by...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens (Human))
BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C |c:14|
Show InChI InChI=1S/C26H27N5O3/c1-5-34-24-9-7-6-8-23(24)27-28-25-17(2)29-31(26(25)33)21-14-19(15-22(32)16-21)18-10-12-20(13-11-18)30(3)4/h6-16,27,32H,5H2,1-4H3/b28-25-
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n/an/an/an/a 700n/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Activation of Bax in human HuH7 cells assessed as inhibition of mitochondrial accumulation of fluorescent probe Mitotracker Red after 12 to 72 hrs by...


J Med Chem 58: 2135-48 (2015)


Article DOI: 10.1021/jm501123r
BindingDB Entry DOI: 10.7270/Q2X35055
More data for this
Ligand-Target Pair