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Compile Data Set for Download or QSAR

Found 302 hits from Dalian University of Technology   
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 Bcl-2


(Homo sapiens (human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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1n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400180
PNG
(2,3‐dihydroxy‐6‐[(4‐ isopr...)
Show SMILES CC(C)c1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C23H18O4S/c1-12(2)13-3-5-14(6-4-13)28-15-7-8-16-17(9-15)23(27)19-11-21(25)20(24)10-18(19)22(16)26/h3-12,24-25H,1-2H3
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13n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50214871
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3
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18n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50428721
PNG
(CHEMBL2333155)
Show SMILES CCCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClN5O5S2/c1-2-8-34(29-53-36-10-4-3-5-11-36)43-39-22-21-37(27-40(39)47(49)50)54(51,52)44-41(48)31-15-19-35(20-16-31)46-25-23-45(24-26-46)28-32-9-6-7-12-38(32)30-13-17-33(42)18-14-30/h3-7,9-22,27,34,43H,2,8,23-26,28-29H2,1H3,(H,44,48)
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21n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50400180
PNG
(2,3‐dihydroxy‐6‐[(4‐ isopr...)
Show SMILES CC(C)c1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C23H18O4S/c1-12(2)13-3-5-14(6-4-13)28-15-7-8-16-17(9-15)23(27)19-11-21(25)20(24)10-18(19)22(16)26/h3-12,24-25H,1-2H3
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24n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50351809
PNG
(CHEMBL1824190)
Show SMILES CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C25H18N2O2/c1-3-14(2)15-7-9-16(10-8-15)29-21-12-11-18-22-17(21)5-4-6-19(22)24-23(18)20(13-26)25(28)27-24/h4-12,14H,3H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50371611
PNG
(CHEMBL258819)
Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H17NO6S/c29-22(15-10-12-17(13-11-15)34-16-6-2-1-3-7-16)18-14-19(24(31)26(33)23(18)30)25(32)27-28-20-8-4-5-9-21(20)35-27/h1-14,30-31,33H
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37n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400178
PNG
(2,3‐dihydroxy‐6‐[(4‐ methy...)
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
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38n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50400178
PNG
(2,3‐dihydroxy‐6‐[(4‐ methy...)
Show SMILES Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H14O4S/c1-11-2-4-12(5-3-11)26-13-6-7-14-15(8-13)21(25)17-10-19(23)18(22)9-16(17)20(14)24/h2-10,22-23H,1H3
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44n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336589
PNG
(3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H
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49n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400179
PNG
(2,3‐dihydroxy‐6‐(phenylsulfanyl)...)
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H12O4S/c21-17-9-15-16(10-18(17)22)20(24)14-8-12(6-7-13(14)19(15)23)25-11-4-2-1-3-5-11/h1-10,21-22H
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53n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400177
PNG
(CHEMBL2180317)
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccc(Br)cc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H11BrO4S/c21-10-1-3-11(4-2-10)26-12-5-6-13-14(7-12)20(25)16-9-18(23)17(22)8-15(16)19(13)24/h1-9,22-23H
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56n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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58n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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58n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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58n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Eur J Med Chem 60: 410-20 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.016
BindingDB Entry DOI: 10.7270/Q2959JVC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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62n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50400179
PNG
(2,3‐dihydroxy‐6‐(phenylsulfanyl)...)
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H12O4S/c21-17-9-15-16(10-18(17)22)20(24)14-8-12(6-7-13(14)19(15)23)25-11-4-2-1-3-5-11/h1-10,21-22H
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71n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336586
PNG
(3-(4-isopropylthiophenol)-8-oxo-8H-acenaphtho[1,2-...)
Show SMILES CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2OS/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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82n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50400177
PNG
(CHEMBL2180317)
Show SMILES Oc1cc2C(=O)c3ccc(Sc4ccc(Br)cc4)cc3C(=O)c2cc1O
Show InChI InChI=1S/C20H11BrO4S/c21-10-1-3-11(4-2-10)26-12-5-6-13-14(7-12)20(25)16-9-18(23)17(22)8-15(16)19(13)24/h1-9,22-23H
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87n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336587
PNG
(3-(4-N,N-dimethylaminophenylthio)-8-oxo-8H-acenaph...)
Show SMILES CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C23H15N3OS/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3
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91n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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99n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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99n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400181
PNG
(6‐bromo‐2,3‐dihydroxyanthracene&...)
Show SMILES Oc1cc2C(=O)c3ccc(Br)cc3C(=O)c2cc1O
Show InChI InChI=1S/C14H7BrO4/c15-6-1-2-7-8(3-6)14(19)10-5-12(17)11(16)4-9(10)13(7)18/h1-5,16-17H
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107n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336581
PNG
(CHEMBL1672072 | N,N-dimethylamino-3-(4-N,N-dimethy...)
Show SMILES CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C23H15N3O2/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3
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122n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336579
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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122n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50441889
PNG
(CHEMBL2436891)
Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O5/c1-12-7-8-16(25)14(9-12)11-24-21(13-5-3-2-4-6-13)23-18-15(22(24)29)10-17(26)19(27)20(18)28/h2-10,25-28H,11H2,1H3
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123n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Eur J Med Chem 69: 711-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.030
BindingDB Entry DOI: 10.7270/Q2348MT5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50400181
PNG
(6‐bromo‐2,3‐dihydroxyanthracene&...)
Show SMILES Oc1cc2C(=O)c3ccc(Br)cc3C(=O)c2cc1O
Show InChI InChI=1S/C14H7BrO4/c15-6-1-2-7-8(3-6)14(19)10-5-12(17)11(16)4-9(10)13(7)18/h1-5,16-17H
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132n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50351805
PNG
(CHEMBL1824188)
Show SMILES COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C22H12N2O3/c1-26-17-7-2-3-8-18(17)27-16-10-9-13-19-12(16)5-4-6-14(19)21-20(13)15(11-23)22(25)24-21/h2-10H,1H3
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149n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336585
PNG
(3-(4-methoxyphenylthio)-8-oxo-8H-acenaphtho[1,2-b]...)
Show SMILES COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O2S/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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151n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50351809
PNG
(CHEMBL1824190)
Show SMILES CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C25H18N2O2/c1-3-14(2)15-7-9-16(10-8-15)29-21-12-11-18-22-17(21)5-4-6-19(22)24-23(18)20(13-26)25(28)27-24/h4-12,14H,3H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336577
PNG
(3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...)
Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O2/c1-12-5-7-13(8-6-12)26-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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174n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50441889
PNG
(CHEMBL2436891)
Show SMILES Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O5/c1-12-7-8-16(25)14(9-12)11-24-21(13-5-3-2-4-6-13)23-18-15(22(24)29)10-17(26)19(27)20(18)28/h2-10,25-28H,11H2,1H3
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179n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Eur J Med Chem 69: 711-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.030
BindingDB Entry DOI: 10.7270/Q2348MT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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190n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polariza...


Eur J Med Chem 69: 711-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.030
BindingDB Entry DOI: 10.7270/Q2348MT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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190n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay


Eur J Med Chem 60: 410-20 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.016
BindingDB Entry DOI: 10.7270/Q2959JVC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50351806
PNG
(CHEMBL1824187)
Show SMILES Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C22H12N2O2/c1-12-5-2-3-8-17(12)26-18-10-9-14-19-13(18)6-4-7-15(19)21-20(14)16(11-23)22(25)24-21/h2-10H,1H3
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213n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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252n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336579
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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258n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400184
PNG
(CHEMBL192032)
Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
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270n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336578
PNG
(3-(biphenyl-4-yloxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES O=c1nc2c3cccc4c(Oc5ccc(cc5)-c5ccccc5)ccc(c2c1C#N)c34
Show InChI InChI=1S/C27H14N2O2/c28-15-22-25-20-13-14-23(19-7-4-8-21(24(19)20)26(25)29-27(22)30)31-18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-14H
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278n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336579
PNG
(3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...)
Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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304n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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310n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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310n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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310n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50400182
PNG
(2,3‐dihydroxyanthracene‐9,10‐dio...)
Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O
Show InChI InChI=1S/C14H8O4/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,15-16H
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312n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 after 30 mins by florescence polarization assay


J Med Chem 55: 10735-41 (2012)


Article DOI: 10.1021/jm301504b
BindingDB Entry DOI: 10.7270/Q26Q1ZCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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319n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Bcl-2 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50371613
PNG
(CHEMBL259033)
Show SMILES CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI InChI=1S/C23H20O6/c1-13(2)19(24)17-12-18(22(27)23(28)21(17)26)20(25)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-13,26-28H,1-2H3
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340n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50351808
PNG
(CHEMBL1824189)
Show SMILES COc1cccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)c1
Show InChI InChI=1S/C22H12N2O3/c1-26-12-4-2-5-13(10-12)27-18-9-8-15-19-14(18)6-3-7-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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375n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay


Eur J Med Chem 46: 3909-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.062
BindingDB Entry DOI: 10.7270/Q2MK6D8W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50371615
PNG
(CHEMBL270268)
Show SMILES CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI InChI=1S/C22H20O5/c1-13(2)17-12-18(21(25)22(26)20(17)24)19(23)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13,24-26H,1-2H3
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380n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50336589
PNG
(3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H
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382n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Displacement of FAM-Bid from human Bcl-2 after 30 mins by fluorescence polarization assay


J Med Chem 54: 1101-5 (2011)


Article DOI: 10.1021/jm101181u
BindingDB Entry DOI: 10.7270/Q2RF5V96
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50214872
PNG
(5,6,7-trihydroxy-8-isobutyl-2-methyl-3-phenyl-chro...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C20H20O5/c1-10(2)9-13-16(21)19(24)18(23)15-17(22)14(11(3)25-20(13)15)12-7-5-4-6-8-12/h4-8,10,21,23-24H,9H2,1-3H3
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400n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
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