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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50031740   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318213
PNG
((Z)-3-(5-((7-(3-Nitrophenyl)-9-oxo-5H-benzo[h]thia...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(c4)[N+]([O-])=O)n3c2=O)o1
Show InChI InChI=1S/C32H21N3O6S/c36-30-27(17-23-12-14-26(41-23)19-6-3-8-21(15-19)31(37)38)42-32-33-28-24-10-2-1-5-18(24)11-13-25(28)29(34(30)32)20-7-4-9-22(16-20)35(39)40/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318191
PNG
((Z)-3-(5-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318212
PNG
((Z)-3-(5-((7-(4-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccc(F)cc4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-11-8-19(9-12-22)29-25-14-10-18-4-1-2-7-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-13-15-26(39-23)20-5-3-6-21(16-20)31(37)38/h1-9,11-13,15-17,29H,10,14H2,(H,37,38)/b27-17-
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n/an/a 5.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318200
PNG
((Z)-3-(5-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-27-12-5-4-11-24(27)30-25-15-13-19-7-2-3-10-23(19)29(25)34-33-35(30)31(36)28(41-33)18-22-14-16-26(40-22)20-8-6-9-21(17-20)32(37)38/h2-12,14,16-18,30H,13,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 5.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318202
PNG
((Z)-2-(3-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)c1
Show InChI InChI=1S/C29H21FN2O4S/c30-20-8-4-7-19(15-20)27-23-12-11-18-6-1-2-10-22(18)26(23)31-29-32(27)28(35)24(37-29)14-17-5-3-9-21(13-17)36-16-25(33)34/h1-10,13-15,27H,11-12,16H2,(H,33,34)/b24-14-
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n/an/a 5.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318211
PNG
((Z)-3-(5-((7-(2-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4F)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-25-11-4-3-10-23(25)29-24-14-12-18-6-1-2-9-22(18)28(24)34-32-35(29)30(36)27(40-32)17-21-13-15-26(39-21)19-7-5-8-20(16-19)31(37)38/h1-11,13,15-17,29H,12,14H2,(H,37,38)/b27-17-
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n/an/a 6.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318218
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxotetrah...)
Show SMILES CC(C)C(C1C(=S)SC(=Cc2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H15BrO3S2/c1-8(2)12(15(19)20)13-14(18)11(22-16(13)21)7-9-3-5-10(17)6-4-9/h3-8,12-13H,1-2H3,(H,19,20)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 6.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 6.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318191
PNG
((Z)-3-(5-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 6.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318193
PNG
((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-
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n/an/a 7.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 7.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50318191
PNG
((Z)-3-(5-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318201
PNG
((Z)-2-(3-((9-Oxo-7-phenyl)-5H-benzo[h]thiazolo[2,3...)
Show SMILES OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)c1
Show InChI InChI=1S/C29H22N2O4S/c32-25(33)17-35-21-11-6-7-18(15-21)16-24-28(34)31-27(20-9-2-1-3-10-20)23-14-13-19-8-4-5-12-22(19)26(23)30-29(31)36-24/h1-12,15-16,27H,13-14,17H2,(H,32,33)/b24-16-
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n/an/a 1.03E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 1.11E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318195
PNG
((Z)-2-(2-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccccc4OCC(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-13-7-5-11-21(24)28-22-15-14-18-8-2-4-10-20(18)27(22)31-30-32(28)29(35)25(38-30)16-19-9-3-6-12-23(19)37-17-26(33)34/h2-13,16,28H,14-15,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 1.21E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318198
PNG
((Z)-4-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]thiaz...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C29H22N2O4S/c1-35-23-9-5-4-8-21(23)26-22-15-14-18-6-2-3-7-20(18)25(22)30-29-31(26)27(32)24(36-29)16-17-10-12-19(13-11-17)28(33)34/h2-13,16,26H,14-15H2,1H3,(H,33,34)/b24-16-
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n/an/a 1.26E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318210
PNG
((Z)-3-(5-((9-Oxo-7-phenyl-5H-benzo[h]thiazolo[2,3-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4)n3c2=O)o1
Show InChI InChI=1S/C32H22N2O4S/c35-30-27(18-23-14-16-26(38-23)21-10-6-11-22(17-21)31(36)37)39-32-33-28-24-12-5-4-7-19(24)13-15-25(28)29(34(30)32)20-8-2-1-3-9-20/h1-12,14,16-18,29H,13,15H2,(H,36,37)/b27-18-
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n/an/a 1.26E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318197
PNG
((Z)-3-(4-((E)-(7-(2-Methoxyphenyl)-9-oxo-5H-benzo[...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(\C=C\C(O)=O)cc4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C31H24N2O4S/c1-37-25-9-5-4-8-23(25)29-24-16-15-21-6-2-3-7-22(21)28(24)32-31-33(29)30(36)26(38-31)18-20-12-10-19(11-13-20)14-17-27(34)35/h2-14,17-18,29H,15-16H2,1H3,(H,34,35)/b17-14+,26-18-
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PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318214
PNG
((Z)-3-(5-((7-(Naphthalen-1-yl)-9-oxo-5H-benzo[h]th...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)o1
Show InChI InChI=1S/C36H24N2O4S/c39-34-31(20-25-16-18-30(42-25)23-10-5-11-24(19-23)35(40)41)43-36-37-32-27-13-4-2-8-22(27)15-17-29(32)33(38(34)36)28-14-6-9-21-7-1-3-12-26(21)28/h1-14,16,18-20,33H,15,17H2,(H,40,41)/b31-20-
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n/an/a 1.34E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318193
PNG
((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-
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n/an/a 1.74E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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n/an/a 1.74E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318191
PNG
((Z)-3-(5-((7-(3-Fluorophenyl)-9-oxo-5H-benzo[h]thi...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/b27-17-
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n/an/a 1.86E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50318193
PNG
((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-
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n/an/a 1.94E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318203
PNG
((Z)-2-(3-((7-(Naphthalen-1-yl)-9-oxo-5H-benzo[h]th...)
Show SMILES OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4cccc5ccccc45)n3c2=O)c1
Show InChI InChI=1S/C33H24N2O4S/c36-29(37)19-39-23-11-5-7-20(17-23)18-28-32(38)35-31(26-14-6-10-21-8-1-3-12-24(21)26)27-16-15-22-9-2-4-13-25(22)30(27)34-33(35)40-28/h1-14,17-18,31H,15-16,19H2,(H,36,37)/b28-18-
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n/an/a 1.97E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318199
PNG
((Z)-30-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]thia...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(cc4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C35H26N2O4S/c1-41-29-12-5-4-11-27(29)32-28-18-17-23-7-2-3-10-26(23)31(28)36-35-37(32)33(38)30(42-35)19-21-13-15-22(16-14-21)24-8-6-9-25(20-24)34(39)40/h2-16,19-20,32H,17-18H2,1H3,(H,39,40)/b30-19-
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n/an/a 2.67E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50318193
PNG
((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-
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n/an/a 3.44E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318215
PNG
((Z)-3-(5-((7-(Furan-2-yl)-9-oxo-5H-benzo[h]thiazol...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)o1
Show InChI InChI=1S/C30H20N2O5S/c33-28-25(16-20-11-13-23(37-20)18-6-3-7-19(15-18)29(34)35)38-30-31-26-21-8-2-1-5-17(21)10-12-22(26)27(32(28)30)24-9-4-14-36-24/h1-9,11,13-16,27H,10,12H2,(H,34,35)/b25-16-
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n/an/a 3.59E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318196
PNG
((Z)-2-(4-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4ccc(OCC(O)=O)cc4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-9-5-4-8-22(24)28-23-15-12-19-6-2-3-7-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-10-13-20(14-11-18)37-17-26(33)34/h2-11,13-14,16,28H,12,15,17H2,1H3,(H,33,34)/b25-16-
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n/an/a 3.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318204
PNG
((Z)-2-(3-((7-(Furan-2-yl)-9-oxo-5H-benzo[h]thiazol...)
Show SMILES OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccco4)n3c2=O)c1
Show InChI InChI=1S/C27H20N2O5S/c30-23(31)15-34-18-7-3-5-16(13-18)14-22-26(32)29-25(21-9-4-12-33-21)20-11-10-17-6-1-2-8-19(17)24(20)28-27(29)35-22/h1-9,12-14,25H,10-11,15H2,(H,30,31)/b22-14-
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n/an/a 4.04E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318209
PNG
((Z)-2-(3-((5-(2-Methoxyphenyl)-3-oxo-7-phenyl-3,5-...)
Show SMILES COc1ccccc1C1C=C(N=c2s\c(=C/c3cccc(OCC(O)=O)c3)c(=O)n12)c1ccccc1
Show InChI InChI=1S/C28H22N2O5S/c1-34-24-13-6-5-12-21(24)23-16-22(19-9-3-2-4-10-19)29-28-30(23)27(33)25(36-28)15-18-8-7-11-20(14-18)35-17-26(31)32/h2-16,23H,17H2,1H3,(H,31,32)/b25-15-
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n/an/a 7.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318217
PNG
(3-(5-((Z)-((E)-9-(3-Fluorobenzylidene)-5-(3-fluoro...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)o1
Show InChI InChI=1S/C35H24F2N2O4S/c36-25-10-1-5-20(16-25)15-22-7-4-12-28-31(22)38-35-39(32(28)23-8-3-11-26(37)18-23)33(40)30(44-35)19-27-13-14-29(43-27)21-6-2-9-24(17-21)34(41)42/h1-3,5-6,8-11,13-19,32H,4,7,12H2,(H,41,42)/b22-15+,30-19-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318216
PNG
((Z)-3-(4-((7-(3-Fluorophenyl)-3-methoxy-9-oxo-5H-b...)
Show SMILES COC1CC2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n3C2c2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C33H23FN2O5S/c1-40-27-17-25-29(24-11-3-2-10-23(24)27)35-33-36(30(25)19-7-5-9-21(34)15-19)31(37)28(42-33)16-22-12-13-26(41-22)18-6-4-8-20(14-18)32(38)39/h2-16,27,30H,17H2,1H3,(H,38,39)/b28-16-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318194
PNG
((Z)-Ethyl-2-(3-((7-(2-methoxyphenyl)-9-oxo-5H-benz...)
Show SMILES CCOC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCc5ccccc45)C(c4ccccc4OC)n3c2=O)c1
Show InChI InChI=1S/C32H28N2O5S/c1-3-38-28(35)19-39-22-11-8-9-20(17-22)18-27-31(36)34-30(24-13-6-7-14-26(24)37-2)25-16-15-21-10-4-5-12-23(21)29(25)33-32(34)40-27/h4-14,17-18,30H,3,15-16,19H2,1-2H3/b27-18-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318208
PNG
(2-(3-((Z)-((E)-9-(3-Fluorobenzylidene)-5-(3-fluoro...)
Show SMILES OC(=O)COc1cccc(\C=c2/sc3=NC4=C(CCC\C4=C/c4cccc(F)c4)C(c4cccc(F)c4)n3c2=O)c1
Show InChI InChI=1S/C32H24F2N2O4S/c33-23-9-1-5-19(14-23)13-21-7-4-12-26-29(21)35-32-36(30(26)22-8-3-10-24(34)17-22)31(39)27(41-32)16-20-6-2-11-25(15-20)40-18-28(37)38/h1-3,5-6,8-11,13-17,30H,4,7,12,18H2,(H,37,38)/b21-13+,27-16-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318207
PNG
((Z)-2-(3-((4-(Biphenylcarbonyloxy)-7-(2-methoxyphe...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OC(=O)c3ccccc3-c3ccccc3)cc1CC2
Show InChI InChI=1S/C43H32N2O7S/c1-50-36-17-8-7-16-34(36)40-35-20-18-28-24-30(52-42(49)33-15-6-5-14-31(33)27-11-3-2-4-12-27)19-21-32(28)39(35)44-43-45(40)41(48)37(53-43)23-26-10-9-13-29(22-26)51-25-38(46)47/h2-17,19,21-24,40H,18,20,25H2,1H3,(H,46,47)/b37-23-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318205
PNG
((Z)-2-(3-((3-Methoxy-7-(2-methoxyphenyl)-9-oxo-5H-...)
Show SMILES COC1CC2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n3C2c2ccccc2OC)c2ccccc12
Show InChI InChI=1S/C31H26N2O6S/c1-37-24-13-6-5-12-22(24)29-23-16-25(38-2)20-10-3-4-11-21(20)28(23)32-31-33(29)30(36)26(40-31)15-18-8-7-9-19(14-18)39-17-27(34)35/h3-15,25,29H,16-17H2,1-2H3,(H,34,35)/b26-15-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318206
PNG
((Z)-2-(3-((4-(Benzyloxy)-7-(2-methoxyphenyl)-9-oxo...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccc(OCc3ccccc3)cc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-31-13-6-5-12-29(31)35-30-16-14-25-20-27(44-21-23-8-3-2-4-9-23)15-17-28(25)34(30)38-37-39(35)36(42)32(46-37)19-24-10-7-11-26(18-24)45-22-33(40)41/h2-13,15,17-20,35H,14,16,21-22H2,1H3,(H,40,41)/b32-19-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Bcl-XL


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318189
PNG
((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
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n/an/an/a 9.50E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-XL by surface plasma resonance based biosensor system


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318190
PNG
((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
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n/an/an/a 9.63E+4n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-XL by surface plasma resonance based biosensor system


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50318192
PNG
((Z)-3-(4-((7-(4-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C33H24N2O5S/c1-39-23-12-9-20(10-13-23)30-26-15-11-19-5-2-3-8-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-14-16-27(40-24)21-6-4-7-22(17-21)32(37)38/h2-10,12-14,16-18,30H,11,15H2,1H3,(H,37,38)/b28-18-
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n/an/an/a 3.85E+4n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-XL by surface plasma resonance based biosensor system


J Med Chem 53: 3465-79 (2010)


Article DOI: 10.1021/jm901004c
BindingDB Entry DOI: 10.7270/Q2QF8T11
More data for this
Ligand-Target Pair