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PubMed code 19217289

Compile data set for download or QSAR
Found 8 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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50248005
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C31H40ClN5O2/c1-5-7-16-35(17-8-6-2)31(39)29-28(32)22(4)37(34-29)26-15-11-12-21(3)27(26)30(38)36-20-24-14-10-9-13-23(24)18-25(36)19-33/h9-15,25H,5-8,16-20,33H2,1-4H3/t25-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247982
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C31H41N5O2/c1-5-7-16-34(17-8-6-2)30(37)27-18-23(4)36(33-27)28-15-11-12-22(3)29(28)31(38)35-21-25-14-10-9-13-24(25)19-26(35)20-32/h9-15,18,26H,5-8,16-17,19-21,32H2,1-4H3/t26-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247981
PNG
(1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-24-12-11-19-32(33(24)35(42)37-22-27-14-10-9-13-26(27)21-30(37)23-40)39-25(2)20-31(36-39)34(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,30,40H,21-23H2,1-2H3/t30-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247980
PNG
(1-(2-((R)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-24-12-11-19-32(33(24)35(42)37-22-27-14-10-9-13-26(27)21-30(37)23-40)39-25(2)20-31(36-39)34(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,30,40H,21-23H2,1-2H3/t30-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247980
PNG
(1-(2-((R)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-24-12-11-19-32(33(24)35(42)37-22-27-14-10-9-13-26(27)21-30(37)23-40)39-25(2)20-31(36-39)34(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,30,40H,21-23H2,1-2H3/t30-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247979
PNG
(1-(2-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1C(=O)N1Cc2ccccc2CC1CO)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H32N4O3/c1-24-12-11-19-32(33(24)35(42)37-22-27-14-10-9-13-26(27)21-30(37)23-40)39-25(2)20-31(36-39)34(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,30,40H,21-23H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50248006
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1cccc(Cl)c1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-15-34(16-7-5-2)29(37)26-17-21(3)36(33-26)27-14-10-13-25(31)28(27)30(38)35-20-23-12-9-8-11-22(23)18-24(35)19-32/h8-14,17,24H,4-7,15-16,18-20,32H2,1-3H3/t24-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50247980
PNG
(1-(2-((R)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1C(=O)N1Cc2ccccc2C[C@@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-24-12-11-19-32(33(24)35(42)37-22-27-14-10-9-13-26(27)21-30(37)23-40)39-25(2)20-31(36-39)34(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,30,40H,21-23H2,1-2H3/t30-/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay


Bioorg Med Chem Lett 19: 1767-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.071
BindingDB Entry DOI: 10.7270/Q2Q52PHM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%