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PubMed code 10698438

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085374
PNG
(CHEMBL69881 | N-{4-[(7-Hydroxy-3a,4,5,9b-tetrahydr...)
Show SMILES Oc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:10.9,wD:13.13,c:28,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C26H33N3O3S/c30-21-11-12-23-20(14-21)10-13-25-24(23)15-26(29-25)27-16-18-6-8-19(9-7-18)17-28-33(31,32)22-4-2-1-3-5-22/h1-5,11-12,14,18-19,24-25,28,30H,6-10,13,15-17H2,(H,27,29)/t18-,19-,24?,25?
KEGG

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n/an/a 1n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085378
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES Oc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C26H31N3O4S/c30-20-11-12-22-19(14-20)10-13-24-23(22)15-25(28-24)29-26(31)18-8-6-17(7-9-18)16-27-34(32,33)21-4-2-1-3-5-21/h1-5,11-12,14,17-18,23-24,27,30H,6-10,13,15-16H2,(H,28,29,31)/t17-,18-,23?,24?
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n/an/a 9n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085375
PNG
(2-Fluoro-N-{4-[(7-methoxy-3a,4,5,9b-tetrahydro-1H-...)
Show SMILES COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:30,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;14.4,-3.54,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C27H34FN3O3S/c1-34-21-11-12-22-20(14-21)10-13-25-23(22)15-27(31-25)29-16-18-6-8-19(9-7-18)17-30-35(32,33)26-5-3-2-4-24(26)28/h2-5,11-12,14,18-19,23,25,30H,6-10,13,15-17H2,1H3,(H,29,31)/t18-,19-,23?,25?
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n/an/a 35n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50366676
PNG
(CHEMBL1744020)
Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 |wU:8.8,wD:5.4,t:11,(12.68,-2.78,;11.35,-3.55,;10.02,-4.33,;10.58,-2.22,;9.03,-2.21,;8.26,-.87,;9.03,.46,;8.26,1.8,;6.73,1.8,;5.95,3.13,;4.42,3.13,;3.65,1.8,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;5.95,.46,;6.72,-.87,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,)|
Show InChI InChI=1S/C26H33N3O2S/c30-32(31,22-7-2-1-3-8-22)28-18-20-12-10-19(11-13-20)17-27-26-16-24-23-9-5-4-6-21(23)14-15-25(24)29-26/h1-9,19-20,24-25,28H,10-18H2,(H,27,29)/t19-,20-,24?,25?
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n/an/a 39n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085377
PNG
(CHEMBL302584 | N-{4-[(7-Chloro-3a,4,5,9b-tetrahydr...)
Show SMILES Clc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:10.9,wD:13.13,c:28,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C26H32ClN3O2S/c27-21-11-12-23-20(14-21)10-13-25-24(23)15-26(30-25)28-16-18-6-8-19(9-7-18)17-29-33(31,32)22-4-2-1-3-5-22/h1-5,11-12,14,18-19,24-25,29H,6-10,13,15-17H2,(H,28,30)/t18-,19-,24?,25?
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n/an/a 54n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085379
PNG
(CHEMBL67768 | N-{4-[(7-Methoxy-3a,4,5,9b-tetrahydr...)
Show SMILES COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C27H35N3O3S/c1-33-22-12-13-24-21(15-22)11-14-26-25(24)16-27(30-26)28-17-19-7-9-20(10-8-19)18-29-34(31,32)23-5-3-2-4-6-23/h2-6,12-13,15,19-20,25-26,29H,7-11,14,16-18H2,1H3,(H,28,30)/t19-,20-,25?,26?
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n/an/a 57n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085383
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:16.18,wD:19.22,t:3,(6.72,4.48,;5.95,3.13,;4.42,3.13,;3.65,1.8,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;12.68,-2.78,;10.02,-4.33,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,)|
Show InChI InChI=1S/C26H31N3O3S/c30-26(29-25-16-23-22-9-5-4-6-19(22)14-15-24(23)28-25)20-12-10-18(11-13-20)17-27-33(31,32)21-7-2-1-3-8-21/h1-9,18,20,23-24,27H,10-17H2,(H,28,29,30)/t18-,20-,23?,24?
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n/an/a 60n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085381
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:12.11,wD:15.15,c:30,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C27H33N3O4S/c1-34-21-12-13-23-20(15-21)11-14-25-24(23)16-26(29-25)30-27(31)19-9-7-18(8-10-19)17-28-35(32,33)22-5-3-2-4-6-22/h2-6,12-13,15,18-19,24-25,28H,7-11,14,16-17H2,1H3,(H,29,30,31)/t18-,19-,24?,25?
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n/an/a 91n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085380
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES Clc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C26H30ClN3O3S/c27-20-11-12-22-19(14-20)10-13-24-23(22)15-25(29-24)30-26(31)18-8-6-17(7-9-18)16-28-34(32,33)21-4-2-1-3-5-21/h1-5,11-12,14,17-18,23-24,28H,6-10,13,15-16H2,(H,29,30,31)/t17-,18-,23?,24?
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n/an/a 111n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085373
PNG
(4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohe...)
Show SMILES COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1 |wU:12.11,wD:15.15,c:31,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;14.4,-3.54,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
Show InChI InChI=1S/C27H32FN3O4S/c1-35-20-11-12-21-19(14-20)10-13-24-22(21)15-26(30-24)31-27(32)18-8-6-17(7-9-18)16-29-36(33,34)25-5-3-2-4-23(25)28/h2-5,11-12,14,17-18,22,24,29H,6-10,13,15-16H2,1H3,(H,30,31,32)/t17-,18-,22?,24?
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n/an/a 121n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50403822
PNG
(CHEMBL2112218)
Show SMILES N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 |t:21|
Show InChI InChI=1S/C24H28F2N4O3S/c25-16-9-10-17-15(13-16)8-11-21-18(17)14-23(29-21)30-24(31)20(27)6-3-4-12-28-34(32,33)22-7-2-1-5-19(22)26/h1-2,5,7,9-10,13,18,20-21,28H,3-4,6,8,11-12,14,27H2,(H,29,30,31)/t18?,20-,21?/m0/s1
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n/an/a 202n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50085382
PNG
(CHEMBL65960 | N-(7-Methoxy-3a,4,5,9b-tetrahydro-1H...)
Show SMILES COc1ccc2C3CC(NC(C)=O)=NC3CCc2c1 |c:12|
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-15-8-13-12-5-4-11(19-2)7-10(12)3-6-14(13)17-15/h4-5,7,13-14H,3,6,8H2,1-2H3,(H,16,17,18)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells


Bioorg Med Chem Lett 10: 213-6 (2000)


BindingDB Entry DOI: 10.7270/Q2TT4RG7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%