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Compile Data Set for Download or QSAR

Found 147 hits from Chiba University   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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0.0871n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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3.5n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474152
PNG
(CHEBI:6956 | CHEMBL299031)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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12n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474153
PNG
(CHEMBL61630)
Show SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
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13n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50474152
PNG
(CHEBI:6956 | CHEMBL299031)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
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60n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50474149
PNG
(CHEBI:70073 | CORYNANRHEIDINE | Corynanrheidine)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/s2
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72n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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79n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50474153
PNG
(CHEMBL61630)
Show SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
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123n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50474153
PNG
(CHEMBL61630)
Show SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
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155n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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417n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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468n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50474152
PNG
(CHEBI:6956 | CHEMBL299031)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50474149
PNG
(CHEBI:70073 | CORYNANRHEIDINE | Corynanrheidine)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/s2
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2.57E+3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50474149
PNG
(CHEBI:70073 | CORYNANRHEIDINE | Corynanrheidine)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/s2
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2.88E+3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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2.95E+3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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3.09E+4n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand


J Med Chem 45: 1949-56 (2002)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50062599
PNG
(3,5-Dimethyl-adamantan-1-ylamine | CHEMBL807 | MEM...)
Show SMILES CC12CC3CC(C)(C1)CC(N)(C3)C2
Show InChI InChI=1/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

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
NR1/NR2A


(Homo sapiens (Human))
BDBM50492253
PNG
(CHEMBL2398522)
Show SMILES C(CCCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCCCNCCCCCCNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C52H78N4/c1(3-5-7-25-39-53-41-27-9-11-29-43-55-45-51(47-31-17-13-18-32-47)48-33-19-14-20-34-48)2-4-6-8-26-40-54-42-28-10-12-30-44-56-46-52(49-35-21-15-22-36-49)50-37-23-16-24-38-50/h13-24,31-38,51-56H,1-12,25-30,39-46H2
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n/an/a 4.20n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50492252
PNG
(CHEMBL55568)
Show SMILES C(CCCCNCCCCCCNCC(c1ccccc1)c1ccccc1)CCCNCCCCCCNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C48H70N4/c1(3-21-35-49-37-23-5-7-25-39-51-41-47(43-27-13-9-14-28-43)44-29-15-10-16-30-44)2-4-22-36-50-38-24-6-8-26-40-52-42-48(45-31-17-11-18-32-45)46-33-19-12-20-34-46/h9-20,27-34,47-52H,1-8,21-26,35-42H2
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n/an/a 11n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A/Puerto Rico/8/34 (H1N1) PA N-terminal domain endonuclease activity expressed in Escherichia coli BL21 (RIL) cells using (6-...


Bioorg Med Chem 23: 5466-75 (2015)


Article DOI: 10.1016/j.bmc.2015.07.046
BindingDB Entry DOI: 10.7270/Q2N87CK3
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
Show InChI InChI=1/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+/s2
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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
NR1/NR2A


(Homo sapiens (Human))
BDBM50476423
PNG
(CHEMBL228435)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C27H41N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-14,29-30H,5-10,15-22,28H2,(H,31,33)
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n/an/a 72n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476427
PNG
(CHEMBL228436)
Show SMILES NCCCCNCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H35N5OS/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-20-10-1-3-12-22(20)31-23-13-4-2-11-21(23)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)
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n/an/a 78n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476433
PNG
(CHEMBL228486)
Show SMILES NCCCNCCCCNCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H33N5O/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)
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n/an/a 83n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50492255
PNG
(CHEMBL2009741)
Show SMILES COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-17-27-37-25-15-7-5-3-4-6-8-16-26-38-28-18-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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n/an/a 89n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476427
PNG
(CHEMBL228436)
Show SMILES NCCCCNCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H35N5OS/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-20-10-1-3-12-22(20)31-23-13-4-2-11-21(23)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)
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n/an/a 108n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476432
PNG
(CHEMBL228437)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C25H37N5OS/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-21-11-1-3-13-23(21)32-24-14-4-2-12-22(24)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)
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n/an/a 108n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476430
PNG
(CHEMBL388315)
Show SMILES NCCCCNCCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H37N5O/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-23-13-3-1-11-21(23)22-12-2-4-14-24(22)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)
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n/an/a 111n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476424
PNG
(CHEMBL228380)
Show SMILES NCCCCNCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C26H39N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-13,28-29H,5-9,14-21,27H2,(H,30,32)
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n/an/a 117n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Mus musculus)
BDBM50465465
PNG
(Anvirzel | NSC-692219 | OLEANDRIN | Oleandrin)
Show SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
Show InChI InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...


J Nat Prod 81: 1235-1240 (2018)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476432
PNG
(CHEMBL228437)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C25H37N5OS/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-21-11-1-3-13-23(21)32-24-14-4-2-12-22(24)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)
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n/an/a 127n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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n/an/a 138n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

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
Show InChI InChI=1/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+/s2
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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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476423
PNG
(CHEMBL228435)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C27H41N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-14,29-30H,5-10,15-22,28H2,(H,31,33)
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n/an/a 142n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476433
PNG
(CHEMBL228486)
Show SMILES NCCCNCCCCNCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H33N5O/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)
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n/an/a 145n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476430
PNG
(CHEMBL388315)
Show SMILES NCCCCNCCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H37N5O/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-23-13-3-1-11-21(23)22-12-2-4-14-24(22)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)
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n/an/a 166n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476431
PNG
(CHEMBL390521)
Show SMILES NCCCCNCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H35N5O/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-22-12-3-1-10-20(22)21-11-2-4-13-23(21)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)
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n/an/a 189n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476425
PNG
(CHEMBL228325)
Show SMILES NCCCCNCCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C26H37N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-15,28-29H,5-9,16-21,27H2,(H,30,32)
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n/an/a 198n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476422
PNG
(CHEMBL390304)
Show SMILES NCCCNCCCCNCCCNC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C25H35N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-14,27-28H,5-8,15-20,26H2,(H,29,31)
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n/an/a 199n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

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
Show InChI InChI=1/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+/s2
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Article
PubMed
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
NR1/NR2A


(Homo sapiens (Human))
BDBM50476422
PNG
(CHEMBL390304)
Show SMILES NCCCNCCCCNCCCNC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C25H35N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-14,27-28H,5-8,15-20,26H2,(H,29,31)
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n/an/a 203n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476431
PNG
(CHEMBL390521)
Show SMILES NCCCCNCCCNCCCCNC(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C24H35N5O/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-22-12-3-1-10-20(22)21-11-2-4-13-23(21)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)
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n/an/a 211n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476426
PNG
(CHEMBL390305)
Show SMILES NCCCNCCCCNCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C23H33N5OS/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-19-9-1-3-11-21(19)30-22-12-4-2-10-20(22)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)
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n/an/a 215n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50476421
PNG
(CHEMBL228378)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C27H39N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-16,29-30H,5-10,17-22,28H2,(H,31,33)
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n/an/a 240n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50492256
PNG
(CHEMBL2398521)
Show SMILES COc1ccccc1CNCCCCCCCCNCCCCCCNCCCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C38H66N4O2/c1-43-37-25-15-13-23-35(37)33-41-31-21-9-5-3-7-17-27-39-29-19-11-12-20-30-40-28-18-8-4-6-10-22-32-42-34-36-24-14-16-26-38(36)44-2/h13-16,23-26,39-42H,3-12,17-22,27-34H2,1-2H3
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n/an/a 257n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/gluta...


Bioorg Med Chem Lett 23: 3901-4 (2013)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476424
PNG
(CHEMBL228380)
Show SMILES NCCCCNCCCNCCCCNC(=O)N1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C26H39N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-13,28-29H,5-9,14-21,27H2,(H,30,32)
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n/an/a 270n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50476421
PNG
(CHEMBL228378)
Show SMILES NCCCCNCCCCNCCCCNC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C27H39N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-16,29-30H,5-10,17-22,28H2,(H,31,33)
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n/an/a 293n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 17: 4729-32 (2007)

More data for this
Ligand-Target Pair
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