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Compile Data Set for Download or QSAR

Found 1994 hits with Last Name = 'fang' and Initial = 'h'   
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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin...


ACS Med Chem Lett 8: 366-371 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00032
BindingDB Entry DOI: 10.7270/Q2S46V8B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50235306
PNG
(CHEMBL4084621)
Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting ...


ACS Med Chem Lett 8: 366-371 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00032
BindingDB Entry DOI: 10.7270/Q2S46V8B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50206243
PNG
(CHEMBL3918431)
Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting ...


ACS Med Chem Lett 8: 366-371 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00032
BindingDB Entry DOI: 10.7270/Q2S46V8B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50235306
PNG
(CHEMBL4084621)
Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin...


ACS Med Chem Lett 8: 366-371 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00032
BindingDB Entry DOI: 10.7270/Q2S46V8B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50211195
PNG
(CHEMBL3944506)
Show SMILES COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1
Show InChI InChI=1S/C17H20N4O2S/c1-22-12-2-3-13-14(8-12)24-16(19-13)20-15-18-9-17(23-15)10-21-6-4-11(17)5-7-21/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,19,20)/t17-/m0/s1
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067364
PNG
(CHEMBL3401816)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1
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63n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067458
PNG
(CHEMBL3401801)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/m0/s1
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66n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50231393
PNG
(CHEMBL4073167)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C37H28Cl2N4O6S/c38-28-16-14-27(15-17-28)26-12-10-25(11-13-26)22-42-23-31(30-8-4-5-9-34(30)42)36(44)40-33(20-24-6-2-1-3-7-24)37(45)41-50(48,49)29-18-19-32(39)35(21-29)43(46)47/h1-19,21,23,33H,20,22H2,(H,40,44)(H,41,45)/t33-/m0/s1
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72n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...


Bioorg Med Chem 25: 1939-1948 (2017)


Article DOI: 10.1016/j.bmc.2017.02.014
BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067363
PNG
(CHEMBL3401817)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C31H21BrN4O8S3/c32-23-9-3-19(4-10-23)17-27(29(37)33-47(43,44)26-15-13-25(14-16-26)36(41)42)34-30(38)28(46-31(34)45)18-20-1-5-21(6-2-20)22-7-11-24(12-8-22)35(39)40/h1-16,18,27H,17H2,(H,33,37)/b28-18-/t27-/m0/s1
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74n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206480
PNG
(CHEMBL3962531)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C43H51ClN4O10SSi/c1-42(2,3)57-41(51)47-27-33(56-31-20-16-30(17-21-31)29-12-10-9-11-13-29)25-38(47)40(50)45-36(24-28-14-18-32(19-15-28)58-60(7,8)43(4,5)6)39(49)46-59(54,55)34-22-23-35(44)37(26-34)48(52)53/h9-23,26,33,36,38H,24-25,27H2,1-8H3,(H,45,50)(H,46,49)/t33-,36-,38-/m0/s1
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77n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067355
PNG
(CHEMBL3401825)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C33H23N5O8S3/c39-31(35-49(45,46)26-15-13-25(14-16-26)38(43)44)29(18-23-19-34-28-4-2-1-3-27(23)28)36-32(40)30(48-33(36)47)17-20-5-7-21(8-6-20)22-9-11-24(12-10-22)37(41)42/h1-17,19,29,34H,18H2,(H,35,39)/b30-17-/t29-/m0/s1
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80n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067460
PNG
(CHEMBL3401800)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1
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86n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164613
PNG
((-)-Spiro[1-azabicyclo(2.2.2)octane-3,5'-oxazolidi...)
Show SMILES O=C1NC[C@@]2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1
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92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat hippocampal alpha7 nAChR measured after 2 hrs by TopCount scintillation counting method


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
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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180n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206517
PNG
(CHEMBL3908357)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H42Cl2N4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-11-15-32(45)16-12-30)24-40(49)42(52)47-38(23-28-9-17-33(18-10-28)58-27-29-7-5-4-6-8-29)41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1
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220n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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250n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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250n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Competitive binding affinity to Mcl-1 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by ...


Bioorg Med Chem 23: 7359-65 (2015)


Article DOI: 10.1016/j.bmc.2015.10.023
BindingDB Entry DOI: 10.7270/Q2FQ9ZD8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206524
PNG
(CHEMBL3972866)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H44Cl2N4O10S/c1-45(2,3)61-44(54)50-28-36(60-35-19-13-32(14-20-35)31-11-15-33(46)16-12-31)26-41(50)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(27-37)51(55)56)25-30-9-17-34(18-10-30)59-24-23-29-7-5-4-6-8-29/h4-22,27,36,39,41H,23-26,28H2,1-3H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1
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260n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50231393
PNG
(CHEMBL4073167)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C37H28Cl2N4O6S/c38-28-16-14-27(15-17-28)26-12-10-25(11-13-26)22-42-23-31(30-8-4-5-9-34(30)42)36(44)40-33(20-24-6-2-1-3-7-24)37(45)41-50(48,49)29-18-19-32(39)35(21-29)43(46)47/h1-19,21,23,33H,20,22H2,(H,40,44)(H,41,45)/t33-/m0/s1
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260n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...


Bioorg Med Chem 25: 1939-1948 (2017)


Article DOI: 10.1016/j.bmc.2017.02.014
BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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290n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206530
PNG
(CHEMBL3918764)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C45H44ClN5O12S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)62-36-24-41(49(26-36)44(54)63-45(2,3)4)43(53)47-39(42(52)48-64(59,60)37-21-22-38(46)40(25-37)51(57)58)23-29-9-17-34(18-10-29)61-27-30-7-15-33(16-8-30)50(55)56/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,47,53)(H,48,52)/t36-,39-,41-/m0/s1
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300n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
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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310n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206478
PNG
(CHEMBL3899305)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C44H42BrClN4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(49)42(52)47-38(41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55)23-28-11-17-33(18-12-28)58-27-29-9-15-32(45)16-10-29/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1
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320n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206520
PNG
(CHEMBL3965513)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H41BrCl2N4O10S/c1-44(2,3)61-43(54)50-25-35(60-34-18-10-30(11-19-34)29-8-14-32(46)15-9-29)23-40(50)42(53)48-38(41(52)49-62(57,58)36-20-21-37(47)39(24-36)51(55)56)22-27-6-16-33(17-7-27)59-26-28-4-12-31(45)13-5-28/h4-21,24,35,38,40H,22-23,25-26H2,1-3H3,(H,48,53)(H,49,52)/t35-,38-,40-/m0/s1
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330n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206479
PNG
(CHEMBL3901796)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C48H45ClN4O10S/c1-48(2,3)63-47(56)52-29-39(62-38-21-17-35(18-22-38)33-9-5-4-6-10-33)27-44(52)46(55)50-42(45(54)51-64(59,60)40-23-24-41(49)43(28-40)53(57)58)26-31-14-19-37(20-15-31)61-30-32-13-16-34-11-7-8-12-36(34)25-32/h4-25,28,39,42,44H,26-27,29-30H2,1-3H3,(H,50,55)(H,51,54)/t39-,42-,44-/m0/s1
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340n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067363
PNG
(CHEMBL3401817)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C31H21BrN4O8S3/c32-23-9-3-19(4-10-23)17-27(29(37)33-47(43,44)26-15-13-25(14-16-26)36(41)42)34-30(38)28(46-31(34)45)18-20-1-5-21(6-2-20)22-7-11-24(12-8-22)35(39)40/h1-16,18,27H,17H2,(H,33,37)/b28-18-/t27-/m0/s1
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360n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50067458
PNG
(CHEMBL3401801)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/m0/s1
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390n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067469
PNG
(CHEMBL3401796)
Show SMILES CC[C@H](C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H26N2O4S3/c1-3-19(2)25(26(31)29-37(33,34)23-12-8-5-9-13-23)30-27(32)24(36-28(30)35)18-20-14-16-22(17-15-20)21-10-6-4-7-11-21/h4-19,25H,3H2,1-2H3,(H,29,31)/b24-18-/t19-,25-/m0/s1
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410n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206538
PNG
(CHEMBL3910834)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C46H47ClN4O10S/c1-30-10-14-33(15-11-30)34-16-20-36(21-17-34)60-37-27-42(50(29-37)45(54)61-46(2,3)4)44(53)48-40(43(52)49-62(57,58)38-22-23-39(47)41(28-38)51(55)56)26-32-12-18-35(19-13-32)59-25-24-31-8-6-5-7-9-31/h5-23,28,37,40,42H,24-27,29H2,1-4H3,(H,48,53)(H,49,52)/t37-,40-,42-/m0/s1
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410n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067460
PNG
(CHEMBL3401800)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1
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420n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206568
PNG
(CHEMBL3919776)
Show SMILES CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C43H48Cl2N4O10S/c1-5-6-7-8-23-57-32-17-9-28(10-18-32)24-37(40(50)47-60(55,56)35-21-22-36(45)38(26-35)49(53)54)46-41(51)39-25-34(27-48(39)42(52)59-43(2,3)4)58-33-19-13-30(14-20-33)29-11-15-31(44)16-12-29/h9-22,26,34,37,39H,5-8,23-25,27H2,1-4H3,(H,46,51)(H,47,50)/t34-,37-,39-/m0/s1
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430n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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440n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...


Bioorg Med Chem 25: 1939-1948 (2017)


Article DOI: 10.1016/j.bmc.2017.02.014
BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(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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450n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067451
PNG
(CHEMBL3401804)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C31H23N3O6S3/c35-29(32-43(39,40)26-17-15-25(16-18-26)34(37)38)27(19-21-7-3-1-4-8-21)33-30(36)28(42-31(33)41)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,32,35)/b28-20-/t27-/m0/s1
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450n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067461
PNG
(CHEMBL3401799)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C33H25BrN2O6S3/c1-42-32(39)25-15-13-24(14-16-25)23-11-7-22(8-12-23)20-29-31(38)36(33(43)44-29)28(19-21-9-17-26(34)18-10-21)30(37)35-45(40,41)27-5-3-2-4-6-27/h2-18,20,28H,19H2,1H3,(H,35,37)/b29-20-/t28-/m0/s1
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460n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206521
PNG
(CHEMBL3892614)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C45H44BrClN4O10S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)60-36-24-41(50(26-36)44(54)61-45(2,3)4)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(25-37)51(55)56)23-29-9-17-34(18-10-29)59-27-30-7-15-33(46)16-8-30/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1
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460n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067464
PNG
(CHEMBL3401798)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H23N3O6S3/c35-29(32-43(39,40)26-9-5-2-6-10-26)27(19-21-7-3-1-4-8-21)33-30(36)28(42-31(33)41)20-22-11-13-23(14-12-22)24-15-17-25(18-16-24)34(37)38/h1-18,20,27H,19H2,(H,32,35)/b28-20-/t27-/m0/s1
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460n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067458
PNG
(CHEMBL3401801)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/m0/s1
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470n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067454
PNG
(CHEMBL3401802)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C33H24ClN3O4S3/c34-25-16-14-23(15-17-25)22-12-10-21(11-13-22)18-30-32(39)37(33(42)43-30)29(19-24-20-35-28-9-5-4-8-27(24)28)31(38)36-44(40,41)26-6-2-1-3-7-26/h1-18,20,29,35H,19H2,(H,36,38)/b30-18-/t29-/m0/s1
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470n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206542
PNG
(CHEMBL3952094)
Show SMILES COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(Cl)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C51H48Cl2N4O11S/c1-51(2,3)68-50(60)56-30-42(67-41-23-15-37(16-24-41)35-11-17-38(52)18-12-35)28-47(56)49(59)54-45(48(58)55-69(63,64)43-25-26-44(53)46(29-43)57(61)62)27-32-7-19-40(20-8-32)66-31-33-5-9-34(10-6-33)36-13-21-39(65-4)22-14-36/h5-26,29,42,45,47H,27-28,30-31H2,1-4H3,(H,54,59)(H,55,58)/t42-,45-,47-/m0/s1
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480n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50231392
PNG
(CHEMBL4086474)
Show SMILES Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C37H30ClN3O4S/c38-30-21-19-29(20-22-30)28-17-15-27(16-18-28)24-41-25-33(32-13-7-8-14-35(32)41)36(42)39-34(23-26-9-3-1-4-10-26)37(43)40-46(44,45)31-11-5-2-6-12-31/h1-22,25,34H,23-24H2,(H,39,42)(H,40,43)/t34-/m0/s1
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490n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid...


Bioorg Med Chem 25: 1939-1948 (2017)


Article DOI: 10.1016/j.bmc.2017.02.014
BindingDB Entry DOI: 10.7270/Q2765HKK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50067364
PNG
(CHEMBL3401816)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1
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490n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206534
PNG
(CHEMBL3901516)
Show SMILES COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C45H45ClN4O10S/c1-28-6-10-30(11-7-28)33-16-20-35(21-17-33)59-36-25-41(49(27-36)44(53)60-45(2,3)4)43(52)47-39(24-29-8-12-31(13-9-29)32-14-18-34(58-5)19-15-32)42(51)48-61(56,57)37-22-23-38(46)40(26-37)50(54)55/h6-23,26,36,39,41H,24-25,27H2,1-5H3,(H,47,52)(H,48,51)/t36-,39-,41-/m0/s1
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500n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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500n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206526
PNG
(CHEMBL3956472)
Show SMILES CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C41H44Cl2N4O10S/c1-25(2)24-55-30-14-6-26(7-15-30)20-35(38(48)45-58(53,54)33-18-19-34(43)36(22-33)47(51)52)44-39(49)37-21-32(23-46(37)40(50)57-41(3,4)5)56-31-16-10-28(11-17-31)27-8-12-29(42)13-9-27/h6-19,22,25,32,35,37H,20-21,23-24H2,1-5H3,(H,44,49)(H,45,48)/t32-,35-,37-/m0/s1
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500n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50206523
PNG
(CHEMBL3953936)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C49H47ClN4O10S/c1-31-9-14-35(15-10-31)36-17-21-39(22-18-36)63-40-27-45(53(29-40)48(57)64-49(2,3)4)47(56)51-43(46(55)52-65(60,61)41-23-24-42(50)44(28-41)54(58)59)26-32-12-19-38(20-13-32)62-30-33-11-16-34-7-5-6-8-37(34)25-33/h5-25,28,40,43,45H,26-27,29-30H2,1-4H3,(H,51,56)(H,52,55)/t40-,43-,45-/m0/s1
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500n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067450
PNG
(CHEMBL3401805)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C31H23ClN2O4S3/c32-25-15-17-26(18-16-25)41(37,38)33-29(35)27(19-21-7-3-1-4-8-21)34-30(36)28(40-31(34)39)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/m0/s1
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PubMed
510n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50206517
PNG
(CHEMBL3908357)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H42Cl2N4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-11-15-32(45)16-12-30)24-40(49)42(52)47-38(23-28-9-17-33(18-10-28)58-27-29-7-5-4-6-8-29)41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
510n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...


Bioorg Med Chem 25: 138-152 (2017)


Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067466
PNG
(CHEMBL3401793)
Show SMILES Brc1ccc(C[C@H](N2C(=S)S\C(=C/c3ccc(cc3)-c3ccccc3)C2=O)C(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H23BrN2O4S3/c32-25-17-13-21(14-18-25)19-27(29(35)33-41(37,38)26-9-5-2-6-10-26)34-30(36)28(40-31(34)39)20-22-11-15-24(16-12-22)23-7-3-1-4-8-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 23: 1994-2003 (2015)


Article DOI: 10.1016/j.bmc.2015.03.024
BindingDB Entry DOI: 10.7270/Q2C24Z35
More data for this
Ligand-Target Pair
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