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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'laflamme' and Initial = 'ja'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128931
PNG
(CHEMBL61880 | N-(9-Isobutyl-9H-carbazol-3-yl)-3-py...)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)16-26-21-8-4-3-7-19(21)20-15-18(9-10-22(20)26)24-23(27)11-14-25-12-5-6-13-25/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,24,27)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128927
PNG
(CHEMBL59680 | N-(9-Ethyl-9H-carbazol-3-yl)-3-morph...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)
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0.840n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128943
PNG
(9-Ethyl-3-(3H-imidazo[4,5-b]pyridin-2-yl)-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C20H16N4/c1-2-24-17-8-4-3-6-14(17)15-12-13(9-10-18(15)24)19-22-16-7-5-11-21-20(16)23-19/h3-12H,2H2,1H3,(H,21,22,23)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133761
PNG
(3-[5-(3-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128938
PNG
(2-Benzylamino-N-(9-ethyl-9H-carbazol-3-yl)-acetami...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-2-26-21-11-7-6-10-19(21)20-14-18(12-13-22(20)26)25-23(27)16-24-15-17-8-4-3-5-9-17/h3-14,24H,2,15-16H2,1H3,(H,25,27)
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128928
PNG
(CHEMBL301638 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26)
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3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133775
PNG
(4-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccncc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-2-1-10(7-12(11)16)13-8-18-14(19-13)9-3-5-17-6-4-9/h1-8H,(H,18,19)
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133780
PNG
(3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128935
PNG
(CHEMBL294305 | N-(9-Ethyl-9H-carbazol-3-yl)-2-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O/c1-2-24-19-6-4-3-5-17(19)18-14-16(7-8-20(18)24)23-21(25)13-15-9-11-22-12-10-15/h3-12,14H,2,13H2,1H3,(H,23,25)
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133762
PNG
(3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)22-12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133779
PNG
(3-[5-(3-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1-9H,(H,17,18)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128944
PNG
(9-Ethyl-3-(9H-purin-8-yl)-9H-carbazole | CHEMBL611...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C19H15N5/c1-2-24-16-6-4-3-5-13(16)14-9-12(7-8-17(14)24)18-22-15-10-20-11-21-19(15)23-18/h3-11H,2H2,1H3,(H,20,21,22,23)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128934
PNG
(3-(4,5-Dimethyl-1H-imidazol-2-yl)-9-ethyl-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(C)c(C)[nH]1
Show InChI InChI=1S/C19H19N3/c1-4-22-17-8-6-5-7-15(17)16-11-14(9-10-18(16)22)19-20-12(2)13(3)21-19/h5-11H,4H2,1-3H3,(H,20,21)
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128939
PNG
(CHEMBL292729 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyrr...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C21H25N3O/c1-2-24-19-8-4-3-7-17(19)18-15-16(9-10-20(18)24)22-21(25)11-14-23-12-5-6-13-23/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,25)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128926
PNG
(CHEMBL304896 | N-(5-Ethyl-6-oxo-5,6-dihydro-phenan...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
Show InChI InChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26)
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128929
PNG
(CHEMBL61879 | N-(9-Ethyl-9H-carbazol-3-yl)-2,2,2-t...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133769
PNG
(3-(5-m-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...)
Show SMILES Cc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3/c1-11-4-2-5-12(8-11)14-10-17-15(18-14)13-6-3-7-16-9-13/h2-10H,1H3,(H,17,18)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128925
PNG
(9-Ethyl-3-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C20H16N4/c1-2-24-18-6-4-3-5-14(18)15-11-13(7-8-19(15)24)20-22-16-9-10-21-12-17(16)23-20/h3-12H,2H2,1H3,(H,22,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128932
PNG
(9-Ethyl-3-(4-methyl-5-phenyl-1H-imidazol-2-yl)-9H-...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H21N3/c1-3-27-21-12-8-7-11-19(21)20-15-18(13-14-22(20)27)24-25-16(2)23(26-24)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128936
PNG
(2,2,2-Trifluoro-N-(9-isopropyl-9H-carbazol-3-yl)-a...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C17H15F3N2O/c1-10(2)22-14-6-4-3-5-12(14)13-9-11(7-8-15(13)22)21-16(23)17(18,19)20/h3-10H,1-2H3,(H,21,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
PDB

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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133782
PNG
(3-[5-(4-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-5-3-10(4-6-12)13-9-17-14(18-13)11-2-1-7-16-8-11/h1-9H,(H,17,18)
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128942
PNG
(CHEMBL59866 | N-(5-Isopropyl-6-oxo-5,6-dihydro-phe...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
Show InChI InChI=1S/C23H21N3O2/c1-15(2)26-21-6-4-3-5-18(21)20-14-17(7-8-19(20)23(26)28)25-22(27)13-16-9-11-24-12-10-16/h3-12,14-15H,13H2,1-2H3,(H,25,27)
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133773
PNG
(3-[5-(3-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...)
Show SMILES Cc1[nH]c(nc1-c1cccc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,1H3,(H,18,19)
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128933
PNG
(2-Dimethylamino-N-(9-ethyl-9H-carbazol-3-yl)-aceta...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc12
Show InChI InChI=1S/C18H21N3O/c1-4-21-16-8-6-5-7-14(16)15-11-13(9-10-17(15)21)19-18(22)12-20(2)3/h5-11H,4,12H2,1-3H3,(H,19,22)
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133767
PNG
(3-[5-(2-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-9H,(H,17,18)
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133765
PNG
(3-[5-(2-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-6-2-1-5-11(12)13-9-20-14(21-13)10-4-3-7-19-8-10/h1-9H,(H,20,21)
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133783
PNG
(2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccccn1
Show InChI InChI=1S/C14H9Cl2N3/c15-10-5-4-9(7-11(10)16)13-8-18-14(19-13)12-3-1-2-6-17-12/h1-8H,(H,18,19)
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133766
PNG
(3-[5-(3,4-Difluoro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H9F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)
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34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133778
PNG
(2,4(5)-Diphenylimidazole | 2,4-diphenyl-1H-imidazo...)
Show SMILES c1[nH]c(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
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34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133784
PNG
(3-[5-(4-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-14(21-13)11-2-1-7-19-8-11/h1-9H,(H,20,21)
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128930
PNG
(2-Dimethylamino-N-(5-isopropyl-6-oxo-5,6-dihydro-p...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
Show InChI InChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24)
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38n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133776
PNG
(2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyraz...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cnccn1
Show InChI InChI=1S/C13H8Cl2N4/c14-9-2-1-8(5-10(9)15)11-7-18-13(19-11)12-6-16-3-4-17-12/h1-7H,(H,18,19)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133759
PNG
(3-(5-o-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...)
Show SMILES Cc1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)12-6-4-8-16-9-12/h2-10H,1H3,(H,17,18)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128924
PNG
(2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phena...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
Show InChI InChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-14(17)16-11-13(9-10-15(16)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23)
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128946
PNG
(CHEMBL292560 | N-(5-Ethyl-6-oxo-5,6-dihydro-phenan...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc2c1=O
Show InChI InChI=1S/C17H13F3N2O2/c1-2-22-14-6-4-3-5-11(14)13-9-10(7-8-12(13)15(22)23)21-16(24)17(18,19)20/h3-9H,2H2,1H3,(H,21,24)
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133777
PNG
(3-[5-(3-Methoxy-phenyl)-1H-imidazol-2-yl]-pyridine...)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3O/c1-19-13-6-2-4-11(8-13)14-10-17-15(18-14)12-5-3-7-16-9-12/h2-10H,1H3,(H,17,18)
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133785
PNG
(3-[5-(4-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...)
Show SMILES Cc1[nH]c(nc1-c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-6-13(16)7-5-11)19-15(18-10)12-3-2-8-17-9-12/h2-9H,1H3,(H,18,19)
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69n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50404042
PNG
(CHEMBL2115090)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc12
Show InChI InChI=1S/C22H28N4O/c1-16(2)15-26-19-8-4-3-7-17(19)18-13-21(23-14-20(18)26)24-22(27)9-12-25-10-5-6-11-25/h3-4,7-8,13-14,16H,5-6,9-12,15H2,1-2H3,(H,23,24,27)
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74n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128941
PNG
(2,2,2-Trifluoro-N-(9-methyl-9H-carbazol-3-yl)-acet...)
Show SMILES Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C15H11F3N2O/c1-20-12-5-3-2-4-10(12)11-8-9(6-7-13(11)20)19-14(21)15(16,17)18/h2-8H,1H3,(H,19,21)
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93n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128937
PNG
(9-Ethyl-3-(4-methyl-5-pyridin-2-yl-1H-imidazol-2-y...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccn1
Show InChI InChI=1S/C23H20N4/c1-3-27-20-10-5-4-8-17(20)18-14-16(11-12-21(18)27)23-25-15(2)22(26-23)19-9-6-7-13-24-19/h4-14H,3H2,1-2H3,(H,25,26)
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101n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133760
PNG
(1-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-isoqu...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1nccc2ccccc12
Show InChI InChI=1S/C18H11Cl2N3/c19-14-6-5-12(9-15(14)20)16-10-22-18(23-16)17-13-4-2-1-3-11(13)7-8-21-17/h1-10H,(H,22,23)
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116n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
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