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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'goda' and Initial = 'y'   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50157300
PNG
((1-{(S)-2-Allylcarbamoyl-1-[(1S,2S,4R)-4-((S)-1-be...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)C(NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H60N6O8/c1-10-17-39-31(46)21-29(42-37(50)33(25(7)8)44-38(51)52-18-11-2)35(48)41-28(19-23(3)4)30(45)20-26(9)34(47)43-32(24(5)6)36(49)40-22-27-15-13-12-14-16-27/h10-16,23-26,28-30,32-33,45H,1-2,17-22H2,3-9H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33?/m1/s1
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27n/an/an/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against human brain memapsin 2


Bioorg Med Chem Lett 15: 159-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.013
BindingDB Entry DOI: 10.7270/Q2Q52P4P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequorin as a reporter for G-protein-coupled receptor-mediated calcium sig...


Bioorg Med Chem Lett 21: 1962-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.036
BindingDB Entry DOI: 10.7270/Q22N52K4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341130
PNG
(CHEMBL445022 | voacamine)
Show SMILES CC[C@H]1C[C@@H]2CN3CCC4C(Nc5cc([C@H]6C[C@H]7C(C\C7=C\C)[C@@H](C(Cc7c6[nH]c6ccccc76)NC)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC |r,TLB:1:2:47.46:6.5,49:46:2.3:6.5,THB:7:6:2.3:47.46,10:46:2.3:6.5|
Show InChI InChI=1S/C44H56N4O5/c1-7-24-16-31-28(24)17-32(39-33(26-11-9-10-12-34(26)46-39)19-36(45-3)38(31)42(49)52-5)30-18-35-29(20-37(30)51-4)27-13-14-48-22-23-15-25(8-2)41(48)44(21-23,40(27)47-35)43(50)53-6/h7,9-12,18,20,23,25,27-28,31-32,36,38,40-41,45-47H,8,13-17,19,21-22H2,1-6H3/b24-7-/t23-,25-,27?,28+,31?,32+,36?,38-,40?,41-,44+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequorin as a reporter for G-protein-coupled receptor-mediated calcium sig...


Bioorg Med Chem Lett 21: 1962-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.036
BindingDB Entry DOI: 10.7270/Q22N52K4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341132
PNG
(5-hydroxy-3,6-oxidovoacangine | CHEMBL1760377)
Show SMILES CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N1[C@H](O)[C@H](O[C@@H]21)c1c3[nH]c2ccc(OC)cc12)C(=O)OC |r|
Show InChI InChI=1S/C22H26N2O5/c1-4-10-7-11-9-22(21(26)28-3)17-15(13-8-12(27-2)5-6-14(13)23-17)16-19(25)24(18(10)22)20(11)29-16/h5-6,8,10-11,16,18-20,23,25H,4,7,9H2,1-3H3/t10-,11+,16+,18-,19+,20-,22+/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequorin as a reporter for G-protein-coupled receptor-mediated calcium sig...


Bioorg Med Chem Lett 21: 1962-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.036
BindingDB Entry DOI: 10.7270/Q22N52K4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50341131
PNG
(3,6-oxidovoacangine | CHEMBL1760376)
Show SMILES CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N1C[C@H](O[C@@H]21)c1c3[nH]c2ccc(OC)cc12)C(=O)OC |r|
Show InChI InChI=1S/C22H26N2O4/c1-4-11-7-12-9-22(21(25)27-3)18-17(16-10-24(19(11)22)20(12)28-16)14-8-13(26-2)5-6-15(14)23-18/h5-6,8,11-12,16,19-20,23H,4,7,9-10H2,1-3H3/t11-,12+,16-,19-,20-,22+/m0/s1
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n/an/a 199n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequorin as a reporter for G-protein-coupled receptor-mediated calcium sig...


Bioorg Med Chem Lett 21: 1962-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.036
BindingDB Entry DOI: 10.7270/Q22N52K4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50271482
PNG
(CHEMBL455781 | lycoparin C)
Show SMILES N[C@@]12CC(CO)=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C |r,c:5,THB:4:3:16:8.9.15|
Show InChI InChI=1S/C15H18N2O2/c1-2-11-10-5-9(8-18)7-15(11,16)12-3-4-14(19)17-13(12)6-10/h2-5,10-11,18H,1,6-8,16H2,(H,17,19)/t10-,11+,15+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase from bovine erythrocyte


Bioorg Med Chem 16: 6167-71 (2008)


Article DOI: 10.1016/j.bmc.2008.04.044
BindingDB Entry DOI: 10.7270/Q28S4PQ7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50271481
PNG
(CHEMBL483513 | lycoparin B)
Show SMILES CN[C@@]12CC(=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C)C(O)=O |r,c:4,THB:18:4:15:7.8.14|
Show InChI InChI=1S/C16H18N2O3/c1-3-11-9-6-10(15(20)21)8-16(11,17-2)12-4-5-14(19)18-13(12)7-9/h3-6,9,11,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t9-,11+,16+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase from bovine erythrocyte


Bioorg Med Chem 16: 6167-71 (2008)


Article DOI: 10.1016/j.bmc.2008.04.044
BindingDB Entry DOI: 10.7270/Q28S4PQ7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50271480
PNG
(CHEMBL519659 | lycoparin A)
Show SMILES CN(C)[C@@]12CC(=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C)C(O)=O |r,c:5,THB:19:5:16:8.9.15|
Show InChI InChI=1S/C17H20N2O3/c1-4-12-10-7-11(16(21)22)9-17(12,19(2)3)13-5-6-15(20)18-14(13)8-10/h4-7,10,12H,1,8-9H2,2-3H3,(H,18,20)(H,21,22)/t10-,12+,17+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase from bovine erythrocyte


Bioorg Med Chem 16: 6167-71 (2008)


Article DOI: 10.1016/j.bmc.2008.04.044
BindingDB Entry DOI: 10.7270/Q28S4PQ7
More data for this
Ligand-Target Pair