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Compile Data Set for Download or QSAR

Found 361 hits with Last Name = 'nagai' and Initial = 'k'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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0.0945n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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0.303n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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0.531n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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0.585n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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0.644n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.648n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161771
PNG
(CHEMBL3786675)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19-,20-,21-/s2
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0.692n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50161771
PNG
(CHEMBL3786675)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19-,20-,21-/s2
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0.748n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.769n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249779
PNG
(3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N |r,c:3|
Show InChI InChI=1S/C22H16F2N4/c1-14-22(17-5-8-19(23)9-6-17,18-7-10-20(24)26-13-18)28-21(27-14)16-4-2-3-15(11-16)12-25/h2-11,13-14H,1H3,(H,27,28)/t14-,22-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249806
PNG
(4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)14-8-9-25-18(10-14)11-24/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249739
PNG
(2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihyd...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C22H16F2N4/c1-14-22(16-2-6-18(23)7-3-16,17-4-8-19(24)9-5-17)28-21(27-14)20-12-15(13-25)10-11-26-20/h2-12,14H,1H3,(H,27,28)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249777
PNG
(2-{(4S,5S)-4-(4-Fluorophenyl)-5-methyl-4-[6-(methy...)
Show SMILES COc1ccc(cn1)[C@@]1(N=C(N[C@H]1C)c1cc(ccn1)C#N)c1ccc(F)cc1 |r,c:10|
Show InChI InChI=1S/C22H18FN5O/c1-14-22(16-3-6-18(23)7-4-16,17-5-8-20(29-2)26-13-17)28-21(27-14)19-11-15(12-24)9-10-25-19/h3-11,13-14H,1-2H3,(H,27,28)/t14-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249758
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249758
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPYY5 receptor


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249833
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-5-8-15(21)9-6-13,14-7-10-17(22)23-11-14)26-19(24-12)16-3-2-4-18(27)25-16/h2-12H,1H3,(H,24,26)(H,25,27)/t12-,20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249833
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-5-8-15(21)9-6-13,14-7-10-17(22)23-11-14)26-19(24-12)16-3-2-4-18(27)25-16/h2-12H,1H3,(H,24,26)(H,25,27)/t12-,20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249775
PNG
(2-[(4R,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249830
PNG
(4-Chloro-2-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(Cl)ccn1 |r,c:3|
Show InChI InChI=1S/C20H15ClF2N4/c1-12-20(13-2-5-16(22)6-3-13,14-4-7-18(23)25-11-14)27-19(26-12)17-10-15(21)8-9-24-17/h2-12H,1H3,(H,26,27)/t12-,20-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249757
PNG
(2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihyd...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cnccn1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4/c1-13-20(14-2-6-16(21)7-3-14,15-4-8-17(22)9-5-15)26-19(25-13)18-12-23-10-11-24-18/h2-13H,1H3,(H,25,26)/t13-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249737
PNG
(2-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Fc1ccc(cc1)C1(CNC(=N1)c1cc(ccn1)C#N)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C21H14F2N4/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)13-26-20(27-21)19-11-14(12-24)9-10-25-19/h1-11H,13H2,(H,26,27)
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2n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249865
PNG
(2-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnsn1 |r,c:3|
Show InChI InChI=1S/C17H13F2N5S/c1-10-17(11-2-5-13(18)6-3-11,12-4-7-15(19)20-8-12)23-16(22-10)14-9-21-25-24-14/h2-10H,1H3,(H,22,23)/t10-,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249832
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnccn1 |r,c:3|
Show InChI InChI=1S/C19H15F2N5/c1-12-19(13-2-5-15(20)6-3-13,14-4-7-17(21)24-10-14)26-18(25-12)16-11-22-8-9-23-16/h2-12H,1H3,(H,25,26)/t12-,19-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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2.30n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249869
PNG
(3-oxo-N-(5-phenylpyrazin-2-yl)-3H-spiro[isobenzofu...)
Show SMILES O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H20N4O3/c28-21-17-8-4-5-9-18(17)23(30-21)10-12-27(13-11-23)22(29)26-20-15-24-19(14-25-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,25,26,29)
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2.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249803
PNG
(2-Fluoro-5-{(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)S(C)(=O)=O |r,c:3|
Show InChI InChI=1S/C22H19F2N3O2S/c1-14-22(16-6-9-18(23)10-7-16,17-8-11-20(24)25-13-17)27-21(26-14)15-4-3-5-19(12-15)30(2,28)29/h3-14H,1-2H3,(H,26,27)/t14-,22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249829
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:9|
Show InChI InChI=1S/C21H18F2N4O/c1-13-21(14-3-6-16(22)7-4-14,15-5-8-19(23)25-12-15)27-20(26-13)18-11-17(28-2)9-10-24-18/h3-13H,1-2H3,(H,26,27)/t13-,21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249754
PNG
(2-[(5S)-5-Ethyl-4,4-bis(4-fluorophenyl)-4,5-dihydr...)
Show SMILES CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
Show InChI InChI=1S/C23H18F2N4/c1-2-21-23(16-3-7-18(24)8-4-16,17-5-9-19(25)10-6-17)29-22(28-21)20-13-15(14-26)11-12-27-20/h3-13,21H,2H2,1H3,(H,28,29)/t21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346211
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(C)c(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-3-9-17(26-20(12)28)19-25-13(2)21(27-19,14-4-7-16(22)8-5-14)15-6-10-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346228
PNG
(1-(Difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
Show InChI InChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346229
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES COn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
Show InChI InChI=1S/C21H18F2N4O2/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(12-14)29-2/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346225
PNG
(1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluorop...)
Show SMILES CCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
Show InChI InChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249756
PNG
(2-[(5R)-4,4-Bis(4-fluorophenyl)-5-(hydroxymethyl)-...)
Show SMILES OC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
Show InChI InChI=1S/C22H16F2N4O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)20(13-29)27-21(28-22)19-11-14(12-25)9-10-26-19/h1-11,20,29H,13H2,(H,27,28)/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249776
PNG
(2-[(5S)-4,4-Bis(6-fluoro-3-pyridyl)-5-methyl-4,5-d...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C20H14F2N6/c1-12-20(14-2-4-17(21)25-10-14,15-3-5-18(22)26-11-15)28-19(27-12)16-8-13(9-23)6-7-24-16/h2-8,10-12H,1H3,(H,27,28)/t12-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249804
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cncc(c1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(16-2-5-18(22)6-3-16,17-4-7-19(23)26-12-17)28-20(27-13)15-8-14(9-24)10-25-11-15/h2-8,10-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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3.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346221
PNG
(3-Chloro-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(Cl)c1 |r,c:3|
Show InChI InChI=1S/C20H15ClF2N4O/c1-11-20(13-2-5-15(22)6-3-13,14-4-7-17(23)24-10-14)27-18(26-11)12-8-16(21)19(28)25-9-12/h2-11H,1H3,(H,25,28)(H,26,27)/t11-,20-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346227
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES CC(C)n1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C23H22F2N4O/c1-14(2)29-13-16(4-11-21(29)30)22-27-15(3)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h4-15H,1-3H3,(H,27,28)/t15-,23-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249807
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N |r,c:3|
Show InChI InChI=1S/C20H14F2N6/c1-12-20(13-2-5-15(21)6-3-13,14-4-7-17(22)25-11-14)28-19(26-12)18-24-9-8-16(10-23)27-18/h2-9,11-12H,1H3,(H,26,28)/t12-,20-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346222
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(c1)C(F)(F)F |r,c:3|
Show InChI InChI=1S/C21H15F5N4O/c1-11-20(13-2-5-15(22)6-3-13,14-4-7-17(23)27-10-14)30-18(29-11)12-8-16(21(24,25)26)19(31)28-9-12/h2-11H,1H3,(H,28,31)(H,29,30)/t11-,20-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249866
PNG
(2-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccs1 |r,c:3|
Show InChI InChI=1S/C18H14F2N4S/c1-11-18(12-2-5-14(19)6-3-12,13-4-7-15(20)22-10-13)24-16(23-11)17-21-8-9-25-17/h2-11H,1H3,(H,23,24)/t11-,18-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249738
PNG
(2-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C19H14F2N4/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)12-24-18(25-19)17-11-22-9-10-23-17/h1-11H,12H2,(H,24,25)
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346217
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(C)c1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-9-14(10-25-20(12)28)19-26-13(2)21(27-19,15-3-6-17(22)7-4-15)16-5-8-18(23)24-11-16/h3-11,13H,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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4.30n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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4.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346226
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES CCCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C23H22F2N4O/c1-3-12-29-14-16(4-11-21(29)30)22-27-15(2)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-13-18/h4-11,13-15H,3,12H2,1-2H3,(H,27,28)/t15-,23-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
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