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23 similar compounds to monomer 50219136

Compile data set for download or QSAR
Wt: 984.0
BDBM29529
Wt: 531.0
BDBM29530
Wt: 835.8
BDBM50174430
Wt: 765.7
BDBM50174434
Wt: 737.6
BDBM50174414
Wt: 1159.3
BDBM50174437
Wt: 511.0
BDBM50174439
Wt: 765.7
BDBM50174440
Wt: 835.8
BDBM50174442
Wt: 793.7
BDBM50174443
Wt: 737.6
BDBM50174415
Wt: 765.7
BDBM50174420
Wt: 765.7
BDBM50174421
Wt: 737.6
BDBM50174424
Wt: 1152.2
BDBM50219124
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 29529,29530,50174430,50174434,50174414,50174437,50174439,50174440,50174442,50174443,50174415,50174420,50174421,50174424,50219124   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174440
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-7-24(8-14-44)34(47)42-10-4-2-3-9-41-33(46)23-5-11-43(12-6-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174414
PNG
(4-(3-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-7-22(8-12-42)40-32(45)4-2-3-31(44)39-21-5-9-41(10-6-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174434
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-15-43-11-6-23(7-12-43)34(47)41-10-4-2-3-5-33(46)42-24-8-13-44(14-9-24)16-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,47)(H,42,46)
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7n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174430
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-12-29(13-19-49)39(52)47-15-9-7-5-3-2-4-6-8-14-46-38(51)28-10-16-48(17-11-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174421
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-49-31-19-29(39)27(37)17-25(31)35(47)51-15-13-43-9-5-23(6-10-43)21-41-33(45)3-4-34(46)42-22-24-7-11-44(12-8-24)14-16-52-36(48)26-18-28(38)30(40)20-32(26)50-2/h17-20,23-24H,3-16,21-22,39-40H2,1-2H3,(H,41,45)(H,42,46)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174420
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-9-24(10-14-44)42-34(47)6-4-2-3-5-33(46)41-23-7-11-43(12-8-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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9n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174443
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C38H54Cl2N6O8/c1-51-33-23-31(41)29(39)21-27(33)37(49)53-19-17-45-13-7-25(8-14-45)5-11-43-35(47)3-4-36(48)44-12-6-26-9-15-46(16-10-26)18-20-54-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)
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10n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29530
PNG
(ML10302 scaffold, 19)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccccc1
Show InChI InChI=1S/C28H39ClN4O4/c1-36-26-20-25(30)24(29)19-23(26)28(35)37-18-17-33-15-11-22(12-16-33)32-27(34)10-6-14-31-13-5-9-21-7-3-2-4-8-21/h2-4,7-8,19-20,22,31H,5-6,9-18,30H2,1H3,(H,32,34)
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12 -10.8n/an/an/an/an/a7.425



CNRS



Assay Description
Radioligand binding studies were performed in buffer contains test compound, [3H]-GR113808, and receptor C6 glial cell membrane preparation. Nonspeci...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174439
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-a...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN
Show InChI InChI=1S/C26H43ClN4O4/c1-34-24-19-23(29)22(27)18-21(24)26(33)35-17-16-31-14-11-20(12-15-31)30-25(32)10-8-6-4-2-3-5-7-9-13-28/h18-20H,2-17,28-29H2,1H3,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174415
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-5-22(6-12-42)32(45)40-8-2-7-39-31(44)21-3-9-41(10-4-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29529
PNG
(ML10302 scaffold, 14)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
Show InChI InChI=1S/C50H72Cl2N8O8/c1-65-45-33-43(53)41(51)31-39(45)49(63)67-29-27-59-23-15-37(16-24-59)57-47(61)9-5-21-55-19-3-7-35-11-13-36(14-12-35)8-4-20-56-22-6-10-48(62)58-38-17-25-60(26-18-38)28-30-68-50(64)40-32-42(52)44(54)34-46(40)66-2/h11-14,31-34,37-38,55-56H,3-10,15-30,53-54H2,1-2H3,(H,57,61)(H,58,62)
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14 -10.7n/an/a 9n/an/a7.425



CNRS



Assay Description
Radioligand binding studies were performed in buffer contains test compound, [3H]-GR113808, and receptor C6 glial cell membrane preparation. Nonspeci...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50219124
PNG
(2-(4-{4-[N-(3-{3-[3-(N-{3-[(1-{2-[(4-amino-5-chlor...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCN(CCCc1cccc(CCCN(CCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)C(=O)C(C)(C)C)c1)C(=O)C(C)(C)C
Show InChI InChI=1S/C60H88Cl2N8O10/c1-59(2,3)57(75)69(26-12-18-53(71)65-43-20-28-67(29-21-43)32-34-79-55(73)45-37-47(61)49(63)39-51(45)77-7)24-10-16-41-14-9-15-42(36-41)17-11-25-70(58(76)60(4,5)6)27-13-19-54(72)66-44-22-30-68(31-23-44)33-35-80-56(74)46-38-48(62)50(64)40-52(46)78-8/h9,14-15,36-40,43-44H,10-13,16-35,63-64H2,1-8H3,(H,65,71)(H,66,72)
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15n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174442
PNG
(4-(10-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbo...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
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16n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174424
PNG
(4-(2-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-47-29-19-27(37)25(35)17-23(29)33(45)49-15-13-41-9-5-21(6-10-41)39-31(43)3-4-32(44)40-22-7-11-42(12-8-22)14-16-50-34(46)24-18-26(36)28(38)20-30(24)48-2/h17-22H,3-16,37-38H2,1-2H3,(H,39,43)(H,40,44)
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21n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174437
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
Show InChI InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)
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50n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50174437
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
Show InChI InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29529
PNG
(ML10302 scaffold, 14)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
Show InChI InChI=1S/C50H72Cl2N8O8/c1-65-45-33-43(53)41(51)31-39(45)49(63)67-29-27-59-23-15-37(16-24-59)57-47(61)9-5-21-55-19-3-7-35-11-13-36(14-12-35)8-4-20-56-22-6-10-48(62)58-38-17-25-60(26-18-38)28-30-68-50(64)40-32-42(52)44(54)34-46(40)66-2/h11-14,31-34,37-38,55-56H,3-10,15-30,53-54H2,1-2H3,(H,57,61)(H,58,62)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.00E+3n/an/an/an/a



CNRS



Assay Description
EC/IC50 was the effective concentration of agonist inhibiting the formation of A-beta fibrils to 50% of the control value. Three independent measurem...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair