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Compile Data Set for Download or QSAR

Found 16 hits of ki data for polymerid = 50006850   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078022
PNG
(CHEMBL3417402)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)N(C)C
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078029
PNG
(CHEMBL3417409)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078015
PNG
(CHEMBL3417395)
Show SMILES CCOc1ccccc1N\N=C1/C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078027
PNG
(CHEMBL3417407)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccc(cc1)C(C)C
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078028
PNG
(CHEMBL3417408)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cccc(c1)-c1ccc(cc1)N(C)C
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078026
PNG
(CHEMBL3417406)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccc(N)c1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078024
PNG
(CHEMBL3417404)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccncc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078030
PNG
(CHEMBL3417410)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccccc1)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078023
PNG
(CHEMBL3417403)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078018
PNG
(CHEMBL3417398)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc2ccccc2c1)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078017
PNG
(CHEMBL3417397)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078016
PNG
(CHEMBL3417396)
Show SMILES CC1=NN(C(=O)\C1=C\C(c1ccccc1)c1ccccc1)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078019
PNG
(CHEMBL3417399)
Show SMILES CC1=NN(C(=O)\C1=C\c1ncc[nH]1)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078025
PNG
(CHEMBL3417405)
Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1cccs1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078020
PNG
(CHEMBL3417400)
Show SMILES CCOc1ccccc1CC(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair
Apoptosis regulator BAX


(Homo sapiens)
BDBM50078021
PNG
(CHEMBL3417401)
Show SMILES CCOc1ccccc1C(=O)C(=O)C1C(C)=NN(C1=O)c1nc(cs1)-c1ccccc1
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)

More data for this
Ligand-Target Pair