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Compile Data Set for Download or QSAR

Found 51 hits of kd for UniProtKB: P25054   
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
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369154
PNG
(CHEMBL4174887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O14S/c1-22(2)17-29(38(59)48-30(18-24-9-11-26(50)12-10-24)39(60)46-27(35(42)56)13-15-33(52)53)47-40(61)31(21-64)49-37(58)28(14-16-34(54)55)45-32(51)19-43-36(57)23(3)44-41(62)63-20-25-7-5-4-6-8-25/h4-12,22-23,27-31,50,64H,13-21H2,1-3H3,(H2,42,56)(H,43,57)(H,44,62)(H,45,51)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.51E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50481595
PNG
(CHEMBL5287183)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C18H20FN4O6P/c1-27-14-4-5-16-12(8-14)9-15(18(25)29-16)17(24)20-10-13-11-23(22-21-13)6-3-7-30(19,26)28-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,24)
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n/an/an/a 36n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369169
PNG
(CHEMBL4160531)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H54N8O16/c1-24(47-44(67)68-23-27-5-3-2-4-6-27)39(62)46-21-35(56)48-31(16-18-37(59)60)40(63)52-34(22-53)43(66)51-33(20-26-9-13-29(55)14-10-26)42(65)50-32(19-25-7-11-28(54)12-8-25)41(64)49-30(38(45)61)15-17-36(57)58/h2-14,24,30-34,53-55H,15-23H2,1H3,(H2,45,61)(H,46,62)(H,47,67)(H,48,56)(H,49,64)(H,50,65)(H,51,66)(H,52,63)(H,57,58)(H,59,60)/t24-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 5.07E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369170
PNG
(CHEMBL4176124)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H56N8O15/c1-23(45-42(64)65-22-26-6-3-2-4-7-26)37(59)44-20-33(53)46-29(15-17-35(56)57)38(60)50-32(21-51)41(63)49-30(18-24-8-5-9-24)40(62)48-31(19-25-10-12-27(52)13-11-25)39(61)47-28(36(43)58)14-16-34(54)55/h2-4,6-7,10-13,23-24,28-32,51-52H,5,8-9,14-22H2,1H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/a 1.53E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369171
PNG
(CHEMBL4171050)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O14/c1-22(2)18-30(39(60)49-31(19-25-10-12-27(50)13-11-25)40(61)47-28(35(42)56)14-16-33(52)53)48-37(58)24(4)44-38(59)29(15-17-34(54)55)46-32(51)20-43-36(57)23(3)45-41(62)63-21-26-8-6-5-7-9-26/h5-13,22-24,28-31,50H,14-21H2,1-4H3,(H2,42,56)(H,43,57)(H,44,59)(H,45,62)(H,46,51)(H,47,61)(H,48,58)(H,49,60)(H,52,53)(H,54,55)/t23-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC (unknown origin) at 37 degC by ITC method


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369172
PNG
(CHEMBL4168798)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C37H48N8O15/c1-20(41-37(59)60-19-22-5-3-2-4-6-22)33(55)39-16-28(48)42-25(12-14-31(52)53)35(57)45-27(18-46)34(56)40-17-29(49)43-26(15-21-7-9-23(47)10-8-21)36(58)44-24(32(38)54)11-13-30(50)51/h2-10,20,24-27,46-47H,11-19H2,1H3,(H2,38,54)(H,39,55)(H,40,56)(H,41,59)(H,42,48)(H,43,49)(H,44,58)(H,45,57)(H,50,51)(H,52,53)/t20-,24-,25-,26-,27-/m0/s1
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n/an/an/a 1.09E+5n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369173
PNG
(CHEMBL4159448)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)s1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H51BrN8O15S/c1-22(46-42(65)66-21-24-5-3-2-4-6-24)37(60)45-19-33(54)47-28(13-16-35(57)58)38(61)51-31(20-52)41(64)50-30(18-26-11-14-32(43)67-26)40(63)49-29(17-23-7-9-25(53)10-8-23)39(62)48-27(36(44)59)12-15-34(55)56/h2-11,14,22,27-31,52-53H,12-13,15-21H2,1H3,(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,62)(H,49,63)(H,50,64)(H,51,61)(H,55,56)(H,57,58)/t22-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369175
PNG
(CHEMBL4168793)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H58N8O15/c1-23(45-41(64)65-22-25-8-6-5-7-9-25)36(59)44-20-32(53)46-28(15-17-34(56)57)37(60)50-31(21-51)40(63)49-30(19-42(2,3)4)39(62)48-29(18-24-10-12-26(52)13-11-24)38(61)47-27(35(43)58)14-16-33(54)55/h5-13,23,27-31,51-52H,14-22H2,1-4H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.78E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369171
PNG
(CHEMBL4171050)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O14/c1-22(2)18-30(39(60)49-31(19-25-10-12-27(50)13-11-25)40(61)47-28(35(42)56)14-16-33(52)53)48-37(58)24(4)44-38(59)29(15-17-34(54)55)46-32(51)20-43-36(57)23(3)45-41(62)63-21-26-8-6-5-7-9-26/h5-13,22-24,28-31,50H,14-21H2,1-4H3,(H2,42,56)(H,43,57)(H,44,59)(H,45,62)(H,46,51)(H,47,61)(H,48,58)(H,49,60)(H,52,53)(H,54,55)/t23-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC (unknown origin) at 30 degC by ITC method


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369177
PNG
(CHEMBL4169858)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H54N8O15/c1-25(48-44(67)68-24-27-7-3-2-4-8-27)39(62)47-22-35(56)49-32(16-18-37(59)60)40(63)51-34(23-54)42(65)53-45(20-28-9-5-6-10-29(28)21-45)43(66)52-33(19-26-11-13-30(55)14-12-26)41(64)50-31(38(46)61)15-17-36(57)58/h2-14,25,31-34,54-55H,15-24H2,1H3,(H2,46,61)(H,47,62)(H,48,67)(H,49,56)(H,50,64)(H,51,63)(H,52,66)(H,53,65)(H,57,58)(H,59,60)/t25-,31-,32-,33-,34-/m0/s1
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n/an/an/a 2.56E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369178
PNG
(CHEMBL4161816)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C43H58N8O15/c1-24(46-43(65)66-23-26-8-4-2-5-9-26)38(60)45-21-33(54)47-30(17-19-35(57)58)39(61)50-32(22-52)41(63)51-36(27-10-6-3-7-11-27)42(64)49-31(20-25-12-14-28(53)15-13-25)40(62)48-29(37(44)59)16-18-34(55)56/h2,4-5,8-9,12-15,24,27,29-32,36,52-53H,3,6-7,10-11,16-23H2,1H3,(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,62)(H,49,64)(H,50,61)(H,51,63)(H,55,56)(H,57,58)/t24-,29-,30-,31-,32-,36-/m0/s1
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n/an/an/a 2.95E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369184
PNG
(CHEMBL4174376)
Show SMILES CCCCCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H64N8O15/c1-3-4-5-6-7-11-14-32(41(63)52-34(23-28-15-17-30(55)18-16-28)43(65)50-31(39(46)61)19-21-37(57)58)51-44(66)35(25-54)53-42(64)33(20-22-38(59)60)49-36(56)24-47-40(62)27(2)48-45(67)68-26-29-12-9-8-10-13-29/h8-10,12-13,15-18,27,31-35,54-55H,3-7,11,14,19-26H2,1-2H3,(H2,46,61)(H,47,62)(H,48,67)(H,49,56)(H,50,65)(H,51,66)(H,52,63)(H,53,64)(H,57,58)(H,59,60)/t27-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/a 3.02E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369185
PNG
(CHEMBL4167760)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C48H56N8O15/c1-27(51-48(70)71-26-29-7-3-2-4-8-29)43(65)50-24-39(59)52-35(18-20-41(62)63)44(66)56-38(25-57)47(69)55-37(23-30-11-14-31-9-5-6-10-32(31)21-30)46(68)54-36(22-28-12-15-33(58)16-13-28)45(67)53-34(42(49)64)17-19-40(60)61/h2-16,21,27,34-38,57-58H,17-20,22-26H2,1H3,(H2,49,64)(H,50,65)(H,51,70)(H,52,59)(H,53,67)(H,54,68)(H,55,69)(H,56,66)(H,60,61)(H,62,63)/t27-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/a 3.96E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369186
PNG
(CHEMBL4174568)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H54N8O15/c1-25(47-44(66)67-24-28-10-6-3-7-11-28)39(61)46-22-35(55)48-31(17-19-37(58)59)40(62)52-34(23-53)43(65)51-32(20-26-8-4-2-5-9-26)42(64)50-33(21-27-12-14-29(54)15-13-27)41(63)49-30(38(45)60)16-18-36(56)57/h2-15,25,30-34,53-54H,16-24H2,1H3,(H2,45,60)(H,46,61)(H,47,66)(H,48,55)(H,49,63)(H,50,64)(H,51,65)(H,52,62)(H,56,57)(H,58,59)/t25-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 4.36E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369187
PNG
(CHEMBL4163850)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H62N8O15/c1-26(48-45(67)68-25-29-11-7-4-8-12-29)40(62)47-23-36(56)49-32(18-20-38(59)60)41(63)53-35(24-54)44(66)52-33(21-27-9-5-2-3-6-10-27)43(65)51-34(22-28-13-15-30(55)16-14-28)42(64)50-31(39(46)61)17-19-37(57)58/h4,7-8,11-16,26-27,31-35,54-55H,2-3,5-6,9-10,17-25H2,1H3,(H2,46,61)(H,47,62)(H,48,67)(H,49,56)(H,50,64)(H,51,65)(H,52,66)(H,53,63)(H,57,58)(H,59,60)/t26-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/a 1.94E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369189
PNG
(CHEMBL4163905)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(Br)=C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H51BrN8O15/c1-21(41)16-28(37(60)48-29(17-23-8-10-25(51)11-9-23)38(61)46-26(34(42)57)12-14-32(53)54)47-39(62)30(19-50)49-36(59)27(13-15-33(55)56)45-31(52)18-43-35(58)22(2)44-40(63)64-20-24-6-4-3-5-7-24/h3-11,22,26-30,50-51H,1,12-20H2,2H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t22-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 1.82E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369190
PNG
(CHEMBL4163133)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C43H58N8O14/c1-24(47-43(64)65-23-28-10-4-3-5-11-28)38(59)45-22-34(53)48-31(17-19-36(56)57)40(61)46-25(2)39(60)50-32(20-26-8-6-7-9-26)42(63)51-33(21-27-12-14-29(52)15-13-27)41(62)49-30(37(44)58)16-18-35(54)55/h3-5,10-15,24-26,30-33,52H,6-9,16-23H2,1-2H3,(H2,44,58)(H,45,59)(H,46,61)(H,47,64)(H,48,53)(H,49,62)(H,50,60)(H,51,63)(H,54,55)(H,56,57)/t24-,25-,30-,31-,32-,33-/m0/s1
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n/an/an/a 570n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369171
PNG
(CHEMBL4171050)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O14/c1-22(2)18-30(39(60)49-31(19-25-10-12-27(50)13-11-25)40(61)47-28(35(42)56)14-16-33(52)53)48-37(58)24(4)44-38(59)29(15-17-34(54)55)46-32(51)20-43-36(57)23(3)45-41(62)63-21-26-8-6-5-7-9-26/h5-13,22-24,28-31,50H,14-21H2,1-4H3,(H2,42,56)(H,43,57)(H,44,59)(H,45,62)(H,46,51)(H,47,61)(H,48,58)(H,49,60)(H,52,53)(H,54,55)/t23-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 430n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged APC (unknown origin) by surface plasmon resonance assay


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369191
PNG
(CHEMBL4164672)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O15/c1-22(2)17-29(38(60)48-30(18-24-9-11-26(51)12-10-24)39(61)46-27(35(42)57)13-15-33(53)54)47-40(62)31(20-50)49-37(59)28(14-16-34(55)56)45-32(52)19-43-36(58)23(3)44-41(63)64-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,50-51H,13-21H2,1-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC (unknown origin) at 37 degC by ITC method


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369192
PNG
(CHEMBL4172555)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H58N8O15/c1-22(2)18-30(39(61)48-31(19-25-10-12-27(52)13-11-25)40(62)47-28(36(43)58)14-16-33(54)55)49-41(63)35(24(4)51)50-38(60)29(15-17-34(56)57)46-32(53)20-44-37(59)23(3)45-42(64)65-21-26-8-6-5-7-9-26/h5-13,22-24,28-31,35,51-52H,14-21H2,1-4H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,62)(H,48,61)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,24-,28-,29-,30-,31-,35-/m0/s1
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n/an/an/a 2.01E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369191
PNG
(CHEMBL4164672)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O15/c1-22(2)17-29(38(60)48-30(18-24-9-11-26(51)12-10-24)39(61)46-27(35(42)57)13-15-33(53)54)47-40(62)31(20-50)49-37(59)28(14-16-34(55)56)45-32(52)19-43-36(58)23(3)44-41(63)64-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,50-51H,13-21H2,1-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 12n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC (unknown origin) at 30 degC by ITC method


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369191
PNG
(CHEMBL4164672)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O15/c1-22(2)17-29(38(60)48-30(18-24-9-11-26(51)12-10-24)39(61)46-27(35(42)57)13-15-33(53)54)47-40(62)31(20-50)49-37(59)28(14-16-34(55)56)45-32(52)19-43-36(58)23(3)44-41(63)64-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,50-51H,13-21H2,1-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 220n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged APC (unknown origin) by surface plasmon resonance assay


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369194
PNG
(CHEMBL4169113)
Show SMILES [H][C@@]12CC[C@@]([H])(C1)C(C2)(NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C43H56N8O15/c1-23(46-42(65)66-22-25-5-3-2-4-6-25)37(60)45-20-33(54)47-30(14-16-35(57)58)38(61)49-32(21-52)40(63)51-43(19-26-7-10-27(43)17-26)41(64)50-31(18-24-8-11-28(53)12-9-24)39(62)48-29(36(44)59)13-15-34(55)56/h2-6,8-9,11-12,23,26-27,29-32,52-53H,7,10,13-22H2,1H3,(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,62)(H,49,61)(H,50,64)(H,51,63)(H,55,56)(H,57,58)/t23-,26+,27-,29-,30-,31-,32-,43?/m0/s1
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n/an/an/a 1.28E+5n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369195
PNG
(CHEMBL4174256)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)NC1(CCCCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H60N8O15/c1-26(47-43(66)67-25-28-10-6-5-7-11-28)38(61)46-23-34(55)48-31(17-19-36(58)59)39(62)50-33(24-53)41(64)52-44(20-8-3-2-4-9-21-44)42(65)51-32(22-27-12-14-29(54)15-13-27)40(63)49-30(37(45)60)16-18-35(56)57/h5-7,10-15,26,30-33,53-54H,2-4,8-9,16-25H2,1H3,(H2,45,60)(H,46,61)(H,47,66)(H,48,55)(H,49,63)(H,50,62)(H,51,65)(H,52,64)(H,56,57)(H,58,59)/t26-,30-,31-,32-,33-/m0/s1
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n/an/an/a 1.04E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369196
PNG
(CHEMBL4172297)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H52N8O15/c1-24(46-43(65)66-23-26-8-4-2-5-9-26)38(60)45-21-33(54)47-30(17-19-35(57)58)39(61)50-32(22-52)41(63)51-36(27-10-6-3-7-11-27)42(64)49-31(20-25-12-14-28(53)15-13-25)40(62)48-29(37(44)59)16-18-34(55)56/h2-15,24,29-32,36,52-53H,16-23H2,1H3,(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,62)(H,49,64)(H,50,61)(H,51,63)(H,55,56)(H,57,58)/t24-,29-,30-,31-,32-,36-/m0/s1
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n/an/an/a 4.29E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369197
PNG
(CHEMBL4160342)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N8O15/c1-22(44-40(63)64-21-24-8-6-5-7-9-24)35(58)43-19-30(52)45-27(15-17-32(55)56)36(59)48-29(20-50)38(61)49-33(41(2,3)4)39(62)47-28(18-23-10-12-25(51)13-11-23)37(60)46-26(34(42)57)14-16-31(53)54/h5-13,22,26-29,33,50-51H,14-21H2,1-4H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,60)(H,47,62)(H,48,59)(H,49,61)(H,53,54)(H,55,56)/t22-,26-,27-,28-,29-,33+/m0/s1
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n/an/an/a 3.15E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369198
PNG
(CHEMBL4163710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O15/c1-4-22(2)34(40(62)47-29(18-24-10-12-26(51)13-11-24)38(60)46-27(35(42)57)14-16-32(53)54)49-39(61)30(20-50)48-37(59)28(15-17-33(55)56)45-31(52)19-43-36(58)23(3)44-41(63)64-21-25-8-6-5-7-9-25/h5-13,22-23,27-30,34,50-51H,4,14-21H2,1-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,60)(H,47,62)(H,48,59)(H,49,61)(H,53,54)(H,55,56)/t22-,23-,27-,28-,29-,30-,34-/m0/s1
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n/an/an/a 3.85E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369199
PNG
(CHEMBL4167164)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H54N8O17S/c1-22(43-40(62)65-21-24-6-4-3-5-7-24)35(57)42-19-31(51)44-27(13-15-33(54)55)36(58)48-30(20-49)39(61)46-28(16-17-66(2,63)64)37(59)47-29(18-23-8-10-25(50)11-9-23)38(60)45-26(34(41)56)12-14-32(52)53/h3-11,22,26-30,49-50H,12-21H2,1-2H3,(H2,41,56)(H,42,57)(H,43,62)(H,44,51)(H,45,60)(H,46,61)(H,47,59)(H,48,58)(H,52,53)(H,54,55)/t22-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 5.73E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369200
PNG
(CHEMBL4159251)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H54N8O16S/c1-22(43-40(62)64-21-24-6-4-3-5-7-24)35(57)42-19-31(51)44-27(13-15-33(54)55)36(58)48-30(20-49)39(61)46-28(16-17-65(2)63)37(59)47-29(18-23-8-10-25(50)11-9-23)38(60)45-26(34(41)56)12-14-32(52)53/h3-11,22,26-30,49-50H,12-21H2,1-2H3,(H2,41,56)(H,42,57)(H,43,62)(H,44,51)(H,45,60)(H,46,61)(H,47,59)(H,48,58)(H,52,53)(H,54,55)/t22-,26-,27-,28-,29-,30-,65?/m0/s1
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n/an/an/a 1.40E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369201
PNG
(CHEMBL4170559)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H54N8O15S/c1-22(43-40(62)63-21-24-6-4-3-5-7-24)35(57)42-19-31(51)44-27(13-15-33(54)55)36(58)48-30(20-49)39(61)46-28(16-17-64-2)37(59)47-29(18-23-8-10-25(50)11-9-23)38(60)45-26(34(41)56)12-14-32(52)53/h3-11,22,26-30,49-50H,12-21H2,1-2H3,(H2,41,56)(H,42,57)(H,43,62)(H,44,51)(H,45,60)(H,46,61)(H,47,59)(H,48,58)(H,52,53)(H,54,55)/t22-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369202
PNG
(CHEMBL4175628)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C48H56N8O15/c1-27(51-48(70)71-26-29-8-3-2-4-9-29)43(65)50-24-39(59)52-35(19-21-41(62)63)44(66)56-38(25-57)47(69)55-37(23-31-12-7-11-30-10-5-6-13-33(30)31)46(68)54-36(22-28-14-16-32(58)17-15-28)45(67)53-34(42(49)64)18-20-40(60)61/h2-17,27,34-38,57-58H,18-26H2,1H3,(H2,49,64)(H,50,65)(H,51,70)(H,52,59)(H,53,67)(H,54,68)(H,55,69)(H,56,66)(H,60,61)(H,62,63)/t27-,34-,35-,36-,37-,38-/m0/s1
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n/an/an/a 1.01E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369203
PNG
(CHEMBL4171131)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N9O15/c1-25(50-46(69)70-24-27-7-3-2-4-8-27)41(64)49-22-37(58)51-33(16-18-39(61)62)42(65)55-36(23-56)45(68)54-35(20-28-21-48-31-10-6-5-9-30(28)31)44(67)53-34(19-26-11-13-29(57)14-12-26)43(66)52-32(40(47)63)15-17-38(59)60/h2-14,21,25,32-36,48,56-57H,15-20,22-24H2,1H3,(H2,47,63)(H,49,64)(H,50,69)(H,51,58)(H,52,66)(H,53,67)(H,54,68)(H,55,65)(H,59,60)(H,61,62)/t25-,32-,33-,34-,35-,36-/m0/s1
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n/an/an/a 1.05E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369204
PNG
(CHEMBL4162811)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccsc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H52N8O15S/c1-23(45-42(64)65-21-25-5-3-2-4-6-25)37(59)44-19-33(53)46-29(12-14-35(56)57)38(60)50-32(20-51)41(63)49-31(18-26-15-16-66-22-26)40(62)48-30(17-24-7-9-27(52)10-8-24)39(61)47-28(36(43)58)11-13-34(54)55/h2-10,15-16,22-23,28-32,51-52H,11-14,17-21H2,1H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/a 6.86E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369205
PNG
(CHEMBL4170750)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H51N9O15S/c1-22(45-41(64)65-19-24-5-3-2-4-6-24)36(59)43-17-32(53)46-28(12-14-34(56)57)37(60)50-31(18-51)40(63)49-30(16-25-20-66-21-44-25)39(62)48-29(15-23-7-9-26(52)10-8-23)38(61)47-27(35(42)58)11-13-33(54)55/h2-10,20-22,27-31,51-52H,11-19H2,1H3,(H2,42,58)(H,43,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t22-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.64E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369206
PNG
(CHEMBL4171731)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H52N10O15/c1-22(46-41(65)66-20-24-5-3-2-4-6-24)36(60)44-18-32(54)47-28(12-14-34(57)58)37(61)51-31(19-52)40(64)50-30(16-25-17-43-21-45-25)39(63)49-29(15-23-7-9-26(53)10-8-23)38(62)48-27(35(42)59)11-13-33(55)56/h2-10,17,21-22,27-31,52-53H,11-16,18-20H2,1H3,(H2,42,59)(H,43,45)(H,44,60)(H,46,65)(H,47,54)(H,48,62)(H,49,63)(H,50,64)(H,51,61)(H,55,56)(H,57,58)/t22-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 5.06E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369212
PNG
(CHEMBL4168374)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H60N8O15/c1-25(47-44(66)67-24-28-10-6-3-7-11-28)39(61)46-22-35(55)48-31(17-19-37(58)59)40(62)52-34(23-53)43(65)51-32(20-26-8-4-2-5-9-26)42(64)50-33(21-27-12-14-29(54)15-13-27)41(63)49-30(38(45)60)16-18-36(56)57/h3,6-7,10-15,25-26,30-34,53-54H,2,4-5,8-9,16-24H2,1H3,(H2,45,60)(H,46,61)(H,47,66)(H,48,55)(H,49,63)(H,50,64)(H,51,65)(H,52,62)(H,56,57)(H,58,59)/t25-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369213
PNG
(CHEMBL4160474)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C43H58N8O15/c1-24(46-43(65)66-23-27-9-3-2-4-10-27)38(60)45-21-34(54)47-30(16-18-36(57)58)39(61)51-33(22-52)42(64)50-31(19-25-7-5-6-8-25)41(63)49-32(20-26-11-13-28(53)14-12-26)40(62)48-29(37(44)59)15-17-35(55)56/h2-4,9-14,24-25,29-33,52-53H,5-8,15-23H2,1H3,(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,62)(H,49,63)(H,50,64)(H,51,61)(H,55,56)(H,57,58)/t24-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/a 620n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369214
PNG
(CHEMBL4174240)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O15/c1-3-7-27(36(58)47-29(18-23-10-12-25(50)13-11-23)38(60)45-26(34(41)56)14-16-32(52)53)46-39(61)30(20-49)48-37(59)28(15-17-33(54)55)44-31(51)19-42-35(57)22(2)43-40(62)63-21-24-8-5-4-6-9-24/h1,4-6,8-13,22,26-30,49-50H,7,14-21H2,2H3,(H2,41,56)(H,42,57)(H,43,62)(H,44,51)(H,45,60)(H,46,61)(H,47,58)(H,48,59)(H,52,53)(H,54,55)/t22-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 3.08E+4n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369218
PNG
(CHEMBL4176650)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)=C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H54N8O15/c1-22(2)17-29(38(60)48-30(18-24-9-11-26(51)12-10-24)39(61)46-27(35(42)57)13-15-33(53)54)47-40(62)31(20-50)49-37(59)28(14-16-34(55)56)45-32(52)19-43-36(58)23(3)44-41(63)64-21-25-7-5-4-6-8-25/h4-12,23,27-31,50-51H,1,13-21H2,2-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 3.64E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369171
PNG
(CHEMBL4171050)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O14/c1-22(2)18-30(39(60)49-31(19-25-10-12-27(50)13-11-25)40(61)47-28(35(42)56)14-16-33(52)53)48-37(58)24(4)44-38(59)29(15-17-34(54)55)46-32(51)20-43-36(57)23(3)45-41(62)63-21-26-8-6-5-7-9-26/h5-13,22-24,28-31,50H,14-21H2,1-4H3,(H2,42,56)(H,43,57)(H,44,59)(H,45,62)(H,46,51)(H,47,61)(H,48,58)(H,49,60)(H,52,53)(H,54,55)/t23-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.09E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369219
PNG
(CHEMBL4160828)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C47H60N8O15/c1-26(2)21-35(44(66)55-36(22-28-9-13-31(56)14-10-28)45(67)52-33(41(48)63)17-19-39(59)60)53-46(68)37(23-29-11-15-32(57)16-12-29)54-43(65)34(18-20-40(61)62)51-38(58)24-49-42(64)27(3)50-47(69)70-25-30-7-5-4-6-8-30/h4-16,26-27,33-37,56-57H,17-25H2,1-3H3,(H2,48,63)(H,49,64)(H,50,69)(H,51,58)(H,52,67)(H,53,68)(H,54,65)(H,55,66)(H,59,60)(H,61,62)/t27-,33-,34-,35-,36-,37-/m0/s1
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n/an/an/a 5.46E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369220
PNG
(CHEMBL4164232)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H56N8O16/c1-22(2)17-29(39(62)49-30(18-24-9-11-26(51)12-10-24)40(63)47-27(36(43)59)13-15-33(53)54)48-41(64)31(19-35(57)58)50-38(61)28(14-16-34(55)56)46-32(52)20-44-37(60)23(3)45-42(65)66-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,51H,13-21H2,1-3H3,(H2,43,59)(H,44,60)(H,45,65)(H,46,52)(H,47,63)(H,48,64)(H,49,62)(H,50,61)(H,53,54)(H,55,56)(H,57,58)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 6.35E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369221
PNG
(CHEMBL4171789)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H56N8O15/c1-23(45-42(64)65-22-25-7-3-2-4-8-25)37(59)44-20-32(53)46-29(16-18-34(56)57)38(60)49-31(21-51)40(62)50-35(26-9-5-6-10-26)41(63)48-30(19-24-11-13-27(52)14-12-24)39(61)47-28(36(43)58)15-17-33(54)55/h2-4,7-8,11-14,23,26,28-31,35,51-52H,5-6,9-10,15-22H2,1H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,63)(H,49,60)(H,50,62)(H,54,55)(H,56,57)/t23-,28-,29-,30-,31-,35-/m0/s1
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n/an/an/a 4.07E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369226
PNG
(CHEMBL4162624)
Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H58N8O15/c1-23(2)9-14-30(39(61)49-31(19-25-10-12-27(52)13-11-25)40(62)47-28(36(43)58)15-17-34(54)55)48-41(63)32(21-51)50-38(60)29(16-18-35(56)57)46-33(53)20-44-37(59)24(3)45-42(64)65-22-26-7-5-4-6-8-26/h4-8,10-13,23-24,28-32,51-52H,9,14-22H2,1-3H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,62)(H,48,63)(H,49,61)(H,50,60)(H,54,55)(H,56,57)/t24-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/a 840n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369227
PNG
(CHEMBL4167355)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H52N8O15S/c1-23(45-42(64)65-22-25-6-3-2-4-7-25)37(59)44-20-33(53)46-29(14-16-35(56)57)38(60)50-32(21-51)41(63)49-31(19-27-8-5-17-66-27)40(62)48-30(18-24-9-11-26(52)12-10-24)39(61)47-28(36(43)58)13-15-34(54)55/h2-12,17,23,28-32,51-52H,13-16,18-22H2,1H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/a 4.01E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369228
PNG
(CHEMBL4171449)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H57N9O15/c1-22(2)17-29(39(62)50-30(18-24-9-11-26(52)12-10-24)40(63)48-27(36(44)59)13-15-34(55)56)49-41(64)31(19-32(43)53)51-38(61)28(14-16-35(57)58)47-33(54)20-45-37(60)23(3)46-42(65)66-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,52H,13-21H2,1-3H3,(H2,43,53)(H2,44,59)(H,45,60)(H,46,65)(H,47,54)(H,48,63)(H,49,64)(H,50,62)(H,51,61)(H,55,56)(H,57,58)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 5.19E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369229
PNG
(CHEMBL4163918)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccco1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C42H52N8O16/c1-23(45-42(64)66-22-25-6-3-2-4-7-25)37(59)44-20-33(53)46-29(14-16-35(56)57)38(60)50-32(21-51)41(63)49-31(19-27-8-5-17-65-27)40(62)48-30(18-24-9-11-26(52)12-10-24)39(61)47-28(36(43)58)13-15-34(54)55/h2-12,17,23,28-32,51-52H,13-16,18-22H2,1H3,(H2,43,58)(H,44,59)(H,45,64)(H,46,53)(H,47,61)(H,48,62)(H,49,63)(H,50,60)(H,54,55)(H,56,57)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/a 6.95E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369191
PNG
(CHEMBL4164672)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N8O15/c1-22(2)17-29(38(60)48-30(18-24-9-11-26(51)12-10-24)39(61)46-27(35(42)57)13-15-33(53)54)47-40(62)31(20-50)49-37(59)28(14-16-34(55)56)45-32(52)19-43-36(58)23(3)44-41(63)64-21-25-7-5-4-6-8-25/h4-12,22-23,27-31,50-51H,13-21H2,1-3H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,61)(H,47,62)(H,48,60)(H,49,59)(H,53,54)(H,55,56)/t23-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 250n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50369242
PNG
(CHEMBL4175576)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H54N8O15/c1-22(44-41(63)64-21-25-5-3-2-4-6-25)36(58)43-19-32(52)45-28(14-16-34(55)56)37(59)49-31(20-50)40(62)48-30(17-23-7-8-23)39(61)47-29(18-24-9-11-26(51)12-10-24)38(60)46-27(35(42)57)13-15-33(53)54/h2-6,9-12,22-23,27-31,50-51H,7-8,13-21H2,1H3,(H2,42,57)(H,43,58)(H,44,63)(H,45,52)(H,46,60)(H,47,61)(H,48,62)(H,49,59)(H,53,54)(H,55,56)/t22-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 1.26E+3n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...


J Med Chem 61: 8017-8028 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01112
BindingDB Entry DOI: 10.7270/Q2V69N4H
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50538743
PNG
(CHEMBL4640669)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccc(cc1)C(=O)N1CCOCC1 |t:8|
Show InChI InChI=1S/C30H26FN3O2/c31-24-12-8-22(9-13-24)28-20-29(27-7-3-5-21-4-1-2-6-26(21)27)34(32-28)25-14-10-23(11-15-25)30(35)33-16-18-36-19-17-33/h1-15,29H,16-20H2
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n/an/an/a 1.28E+4n/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Binding affinity to APC (unknown origin) by isothermal titration calorimetry assay


Eur J Med Chem 177: 425-447 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.056
BindingDB Entry DOI: 10.7270/Q2VM4GTN
More data for this
Ligand-Target Pair
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