Found 977 hits with Last Name = 'chandrasena' and Initial = 'g' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353148
(CHEMBL1829320)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)| Show InChI InChI=1S/C20H28ClN3O5S/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379608
(CHEMBL2013020)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(12.87,-43.9,;11.53,-43.13,;11.53,-41.59,;10.2,-43.89,;10.96,-45.22,;9.43,-45.22,;8.86,-43.13,;7.53,-43.9,;6.2,-43.12,;4.87,-43.89,;3.54,-43.12,;3.54,-41.58,;4.87,-40.8,;6.2,-41.58,;2.2,-40.82,;.87,-41.59,;.88,-43.13,;-.46,-40.82,;-1.8,-41.6,;-1.96,-43.13,;-3.47,-43.45,;-4.24,-42.12,;-5.74,-41.81,;-6.22,-40.35,;-7.73,-40.04,;-5.19,-39.2,;-3.68,-39.52,;-3.21,-40.98,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8-11,14-15,18,22H,3-4,6-7,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353151
(CHEMBL1829323)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.22,-17.24,;8.89,-16.47,;8.89,-14.93,;7.56,-17.23,;6.77,-18.56,;8.31,-18.56,;6.22,-16.46,;4.89,-17.23,;3.56,-16.46,;3.56,-14.92,;2.22,-14.14,;.89,-14.92,;.89,-16.46,;2.22,-17.22,;-.45,-14.14,;-1.77,-14.92,;-1.77,-16.46,;-3.11,-14.15,;-4.44,-14.92,;-4.44,-16.47,;-5.78,-17.23,;-7.11,-16.46,;-7.11,-14.93,;-8.45,-14.16,;-8.45,-12.62,;-9.78,-11.85,;-7.12,-11.85,;-5.78,-12.61,;-5.77,-14.16,)| Show InChI InChI=1S/C20H30ClN3O3S2/c1-14(2)29(26,27)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-28-19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353150
(CHEMBL1829322)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(33.09,-9.17,;31.76,-8.4,;31.76,-6.86,;30.43,-9.16,;29.65,-10.49,;31.19,-10.49,;29.1,-8.39,;27.76,-9.16,;26.43,-8.39,;26.43,-6.84,;25.09,-6.06,;23.76,-6.84,;23.76,-8.38,;25.09,-9.15,;22.43,-6.07,;21.1,-6.85,;21.1,-8.39,;19.77,-6.08,;18.43,-6.85,;18.43,-8.39,;19.76,-9.16,;17.09,-9.16,;15.76,-8.39,;15.76,-6.86,;14.42,-6.09,;14.43,-4.54,;13.09,-3.78,;15.76,-3.78,;17.09,-4.54,;17.1,-6.09,)| Show InChI InChI=1S/C20H28ClN3O4S2/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354066
(CHEMBL1836324)Show InChI InChI=1S/C18H25N3O2S3/c1-2-26(22,23)20-12-7-3-6-11-19-18-21-17-14-8-4-5-9-15(14)24-13-10-16(17)25-18/h4-5,8-9,20H,2-3,6-7,10-13H2,1H3,(H,19,21) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353154
(CHEMBL1829326)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)| Show InChI InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)/t16-,19- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354068
(CHEMBL1836322)Show SMILES CCS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1 Show InChI InChI=1S/C19H26FN3O2S2/c1-2-27(24,25)22-12-5-3-4-11-21-19-23-18-16-13-15(20)10-9-14(16)7-6-8-17(18)26-19/h9-10,13,22H,2-8,11-12H2,1H3,(H,21,23) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353154
(CHEMBL1829326)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)| Show InChI InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)/t16-,19- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379603
(CHEMBL2013025)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)c(F)cc12 |r,wU:8.7,wD:11.14,(11.86,-7.35,;10.53,-6.58,;10.53,-5.04,;9.19,-7.34,;9.96,-8.67,;8.42,-8.67,;7.86,-6.58,;6.53,-7.34,;5.19,-6.57,;3.87,-7.34,;2.54,-6.57,;2.54,-5.03,;3.87,-4.25,;5.19,-5.03,;1.2,-4.27,;-.13,-5.04,;-.13,-6.58,;-1.47,-4.27,;-2.8,-5.05,;-2.96,-6.58,;-4.47,-6.9,;-5.24,-5.57,;-6.74,-5.26,;-7.22,-3.8,;-8.73,-3.49,;-6.19,-2.65,;-6.67,-1.18,;-4.69,-2.97,;-4.21,-4.43,)| Show InChI InChI=1S/C20H27F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-16(6-4-14)24-20(26)12-25-8-7-15-9-17(21)18(22)10-19(15)25/h7-10,13-14,16,23H,3-6,11-12H2,1-2H3,(H,24,26)/t14-,16- | KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353149
(CHEMBL1829321)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCOc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.92,-9.69,;9.59,-8.92,;9.6,-7.38,;8.26,-9.68,;7.48,-11.01,;9.02,-11.01,;6.93,-8.91,;5.59,-9.67,;4.26,-8.9,;4.26,-7.36,;2.92,-6.58,;1.6,-7.36,;1.59,-8.9,;2.92,-9.67,;.26,-6.59,;-1.07,-7.37,;-1.06,-8.91,;-2.4,-6.59,;-3.74,-7.37,;-3.74,-8.91,;-5.07,-9.68,;-6.4,-8.91,;-6.4,-7.38,;-7.74,-6.61,;-7.74,-5.06,;-9.08,-4.3,;-6.41,-4.3,;-5.08,-5.05,;-5.07,-6.61,)| Show InChI InChI=1S/C20H30ClN3O4S/c1-14(2)29(26,27)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-28-19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379597
(CHEMBL2013010)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccc(Cl)cc2sc1=O |r,wU:8.7,wD:11.14,(10.44,-12.14,;9.11,-11.36,;9.11,-9.82,;7.77,-12.13,;8.53,-13.46,;7,-13.45,;6.44,-11.36,;5.1,-12.13,;3.77,-11.36,;2.44,-12.12,;1.11,-11.36,;1.11,-9.82,;2.44,-9.04,;3.77,-9.82,;-.22,-9.05,;-1.56,-9.82,;-1.55,-11.36,;-2.89,-9.06,;-4.22,-9.83,;-5.63,-9.21,;-6.11,-7.75,;-7.62,-7.43,;-8.65,-8.58,;-10.15,-8.27,;-8.16,-10.04,;-6.67,-10.35,;-5.89,-11.69,;-4.39,-11.36,;-3.24,-12.39,)| Show InChI InChI=1S/C19H26ClN3O4S2/c1-12(2)29(26,27)21-10-13-3-6-15(7-4-13)22-18(24)11-23-16-8-5-14(20)9-17(16)28-19(23)25/h5,8-9,12-13,15,21H,3-4,6-7,10-11H2,1-2H3,(H,22,24)/t13-,15- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379606
(CHEMBL2013022)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cccc(Cl)c12 |r,wU:8.7,wD:11.14,(11.12,-50.13,;9.79,-49.36,;9.79,-47.82,;8.45,-50.12,;9.22,-51.45,;7.68,-51.45,;7.12,-49.35,;5.79,-50.12,;4.45,-49.35,;3.13,-50.11,;1.8,-49.35,;1.8,-47.81,;3.13,-47.03,;4.45,-47.81,;.46,-47.04,;-.87,-47.82,;-.87,-49.36,;-2.21,-47.05,;-3.54,-47.83,;-3.7,-49.35,;-5.21,-49.68,;-5.98,-48.35,;-7.48,-48.03,;-7.96,-46.58,;-6.93,-45.42,;-5.43,-45.74,;-4.4,-44.6,;-4.95,-47.2,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379607
(CHEMBL2013021)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(Cl)cc12 |r,wU:8.7,wD:11.14,(34.5,-46.23,;33.16,-45.46,;33.17,-43.92,;31.83,-46.22,;32.59,-47.55,;31.06,-47.54,;30.5,-45.45,;29.16,-46.22,;27.83,-45.45,;26.5,-46.21,;25.17,-45.45,;25.17,-43.91,;26.5,-43.13,;27.83,-43.91,;23.84,-43.14,;22.5,-43.92,;22.51,-45.46,;21.17,-43.15,;19.84,-43.93,;19.67,-45.45,;18.16,-45.78,;17.39,-44.45,;15.89,-44.13,;15.41,-42.68,;16.44,-41.52,;15.96,-40.06,;17.95,-41.84,;18.42,-43.3,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353148
(CHEMBL1829320)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)| Show InChI InChI=1S/C20H28ClN3O5S/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16- | KEGG
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372090
(CHEMBL403668)Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354079
(CHEMBL1836329)Show SMILES COc1cccc2-c3nc(N[C@H]4CC[C@H](CNS(C)(=O)=O)CC4)sc3CCOc12 |r,wU:14.14,wD:11.10,(19.34,4.17,;20.79,3.64,;21.98,4.62,;21.73,6.09,;22.88,7.04,;24.28,6.52,;24.53,5.05,;26.01,4.74,;27.03,5.85,;28.38,5.22,;29.74,5.97,;31.07,5.19,;31.08,3.64,;32.42,2.86,;33.75,3.64,;35.09,2.86,;36.43,3.63,;37.77,2.85,;39.11,3.63,;36.99,1.52,;38.54,1.51,;33.76,5.18,;32.42,5.95,;28.22,3.73,;26.75,3.44,;26.13,1.95,;24.63,1.57,;23.41,2.5,;23.37,4.11,)| Show InChI InChI=1S/C20H27N3O4S2/c1-26-16-5-3-4-15-18-17(10-11-27-19(15)16)28-20(23-18)22-14-8-6-13(7-9-14)12-21-29(2,24)25/h3-5,13-14,21H,6-12H2,1-2H3,(H,22,23)/t13-,14- | KEGG
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354077
(CHEMBL1836331)Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCCc3ccc(F)cc-23)s1 |r,wU:6.5,wD:9.12,(32.91,-10.2,;31.56,-10.97,;30.79,-12.31,;32.33,-12.32,;30.22,-10.2,;28.88,-10.97,;27.54,-10.19,;26.21,-10.96,;24.87,-10.19,;24.87,-8.64,;26.21,-7.88,;27.55,-8.65,;23.53,-7.86,;22.18,-8.61,;20.82,-7.98,;19.81,-9.09,;20.55,-10.39,;19.93,-11.88,;18.42,-12.26,;17.2,-11.32,;17.17,-9.72,;15.78,-9.21,;15.53,-7.74,;16.68,-6.78,;16.42,-5.26,;18.08,-7.31,;18.32,-8.78,;22.02,-10.09,)| Show InChI InChI=1S/C20H26FN3O2S2/c1-28(25,26)22-12-13-5-9-16(10-6-13)23-20-24-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20/h7-8,11,13,16,22H,2-6,9-10,12H2,1H3,(H,23,24)/t13-,16- | KEGG
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379598
(CHEMBL2013016)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CC(C)(C)c2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.66,-30.81,;10.33,-30.04,;10.33,-28.5,;8.99,-30.8,;9.75,-32.13,;8.22,-32.13,;7.66,-30.03,;6.32,-30.8,;4.99,-30.03,;3.66,-30.79,;2.33,-30.03,;2.33,-28.49,;3.66,-27.71,;4.99,-28.49,;1,-27.72,;-.33,-28.5,;-.33,-30.04,;-1.67,-27.73,;-3,-28.51,;-3.16,-30.03,;-4.67,-30.36,;-4.28,-31.84,;-5.76,-31.44,;-5.44,-29.03,;-6.94,-28.71,;-7.42,-27.26,;-8.93,-26.94,;-6.39,-26.1,;-4.89,-26.42,;-4.41,-27.88,)| Show InChI InChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27)/t16-,18- | KEGG
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379604
(CHEMBL2013024)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(F)cc12 |r,wU:8.7,wD:11.14,(36.74,-.05,;35.41,.72,;35.41,2.26,;34.07,-.04,;34.83,-1.37,;33.3,-1.36,;32.74,.73,;31.4,-.04,;30.07,.73,;28.74,-.03,;27.41,.73,;27.41,2.27,;28.74,3.05,;30.07,2.27,;26.08,3.04,;24.74,2.26,;24.75,.72,;23.41,3.03,;22.08,2.26,;21.91,.73,;20.4,.4,;19.63,1.73,;18.13,2.05,;17.65,3.5,;18.68,4.66,;18.2,6.12,;20.19,4.34,;20.66,2.88,)| Show InChI InChI=1S/C20H28FN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354083
(CHEMBL1836102 | N-{[(1r,4r)-4-{[(4-aminoquinazolin...)Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)| Show InChI InChI=1S/C26H29N5O2S/c27-25-23-7-3-4-8-24(23)30-26(31-25)28-16-18-9-11-19(12-10-18)17-29-34(32,33)22-14-13-20-5-1-2-6-21(20)15-22/h1-8,13-15,18-19,29H,9-12,16-17H2,(H3,27,28,30,31)/t18-,19- | KEGG
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to NPY5 receptor |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Rat 6B) | BDBM50354072
(CHEMBL1836317)Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)| Show InChI InChI=1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)/t13-,14- | UniProtKB/SwissProt
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat NPY5 receptor |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354070
(CHEMBL1836319)Show SMILES CS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1 Show InChI InChI=1S/C18H24FN3O2S2/c1-26(23,24)21-11-4-2-3-10-20-18-22-17-15-12-14(19)9-8-13(15)6-5-7-16(17)25-18/h8-9,12,21H,2-7,10-11H2,1H3,(H,20,22) | KEGG
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| CHEMBL
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379592
(CHEMBL2013015)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2c1ccc(F)c2F |r,wU:8.7,wD:11.14,(33.84,-25.97,;32.5,-25.2,;32.51,-23.66,;31.17,-25.96,;31.93,-27.29,;30.4,-27.29,;29.84,-25.2,;28.5,-25.97,;27.17,-25.19,;25.84,-25.96,;24.51,-25.19,;24.51,-23.65,;25.84,-22.88,;27.17,-23.65,;23.17,-22.89,;21.84,-23.66,;21.85,-25.2,;20.51,-22.9,;19.17,-23.67,;19.01,-25.2,;17.51,-25.52,;16.73,-24.19,;17.76,-23.05,;17.29,-21.59,;15.78,-21.27,;14.75,-22.42,;13.24,-22.11,;15.23,-23.88,;14.21,-25.03,)| Show InChI InChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26)/t14-,15- | KEGG
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354072
(CHEMBL1836317)Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)| Show InChI InChI=1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)/t13-,14- | KEGG
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379610
(CHEMBL2013018)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccccc12 |r,wU:8.7,wD:11.14,(10.13,-37.49,;8.79,-36.71,;8.8,-35.17,;7.46,-37.48,;8.22,-38.81,;6.69,-38.8,;6.13,-36.71,;4.79,-37.48,;3.46,-36.71,;2.13,-37.47,;.8,-36.71,;.8,-35.17,;2.13,-34.39,;3.46,-35.17,;-.53,-34.4,;-1.87,-35.17,;-1.86,-36.71,;-3.2,-34.41,;-4.53,-35.18,;-4.7,-36.71,;-6.21,-37.03,;-6.98,-35.7,;-8.48,-35.39,;-8.96,-33.93,;-7.93,-32.78,;-6.42,-33.1,;-5.95,-34.56,)| Show InChI InChI=1S/C20H29N3O3S/c1-15(2)27(25,26)21-13-16-7-9-18(10-8-16)22-20(24)14-23-12-11-17-5-3-4-6-19(17)23/h3-6,11-12,15-16,18,21H,7-10,13-14H2,1-2H3,(H,22,24)/t16-,18- | KEGG
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354078
(CHEMBL1836330)Show SMILES CS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccc(F)cc-23)s1 Show InChI InChI=1S/C17H22FN3O2S3/c1-26(22,23)20-9-4-2-3-8-19-17-21-16-13-11-12(18)5-6-14(13)24-10-7-15(16)25-17/h5-6,11,20H,2-4,7-10H2,1H3,(H,19,21) | KEGG
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379609
(CHEMBL2013019)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2c(Cl)cccc12 |r,wU:8.7,wD:11.14,(32.57,-39.12,;31.23,-38.34,;31.24,-36.8,;29.9,-39.11,;30.66,-40.44,;29.13,-40.43,;28.57,-38.34,;27.23,-39.11,;25.9,-38.34,;24.57,-39.1,;23.24,-38.34,;23.24,-36.8,;24.57,-36.02,;25.9,-36.8,;21.9,-36.03,;20.57,-36.8,;20.58,-38.34,;19.24,-36.04,;17.91,-36.81,;17.74,-38.34,;16.23,-38.66,;15.46,-37.33,;13.96,-37.02,;12.94,-38.17,;13.48,-35.56,;14.51,-34.41,;16.02,-34.73,;16.49,-36.19,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-16(9-7-15)23-20(25)13-24-11-10-17-18(21)4-3-5-19(17)24/h3-5,10-11,14-16,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,16- | KEGG
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353152
(CHEMBL1829324)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCS(=O)(=O)c2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(34.58,-17.57,;33.25,-16.8,;33.25,-15.26,;31.92,-17.56,;31.13,-18.89,;32.67,-18.89,;30.58,-16.79,;29.25,-17.56,;27.91,-16.79,;27.92,-15.25,;26.58,-14.47,;25.25,-15.25,;25.25,-16.79,;26.58,-17.55,;23.92,-14.47,;22.59,-15.25,;22.59,-16.79,;21.25,-14.48,;19.92,-15.25,;19.92,-16.8,;18.58,-17.56,;17.25,-16.79,;15.76,-16.38,;16.48,-18.12,;17.25,-15.26,;15.91,-14.49,;15.92,-12.95,;14.58,-12.18,;17.25,-12.18,;18.58,-12.94,;18.59,-14.49,)| Show InChI InChI=1S/C20H30ClN3O5S2/c1-14(2)31(28,29)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-30(26,27)19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50355854
(CHEMBL1909727)Show InChI InChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21) | KEGG
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay |
Bioorg Med Chem Lett 21: 6500-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379591
(CHEMBL2013017)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCc2ccccc12 |r,wU:8.7,wD:11.14,(33.54,-33.77,;32.21,-33,;32.21,-31.46,;30.87,-33.76,;31.64,-35.09,;30.1,-35.08,;29.54,-32.99,;28.21,-33.76,;26.87,-32.99,;25.54,-33.75,;24.21,-32.99,;24.21,-31.45,;25.54,-30.67,;26.87,-31.45,;22.88,-30.68,;21.55,-31.46,;21.55,-33,;20.21,-30.69,;18.88,-31.46,;17.54,-30.69,;16.18,-31.4,;15.07,-30.32,;15.76,-28.95,;15.19,-27.53,;16.14,-26.32,;17.67,-26.54,;18.23,-27.97,;17.28,-29.17,)| Show InChI InChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25)/t17-,19- | KEGG
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50355840
(CHEMBL1912082)Show SMILES COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C21H26N4O3S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25) | KEGG
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay |
Bioorg Med Chem Lett 21: 6500-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354073
(CHEMBL1836316)Show SMILES O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccs1 |r,wU:5.4,wD:8.11,(42.05,-18.71,;40.51,-18.69,;41.3,-17.37,;39.18,-17.9,;39.2,-16.36,;37.88,-15.57,;36.53,-16.33,;35.21,-15.54,;35.23,-14,;36.57,-13.24,;37.9,-14.03,;33.9,-13.22,;32.56,-13.98,;31.2,-13.36,;30.19,-14.46,;30.93,-15.76,;30.31,-17.24,;28.81,-17.62,;27.6,-16.69,;27.56,-15.09,;26.18,-14.58,;25.93,-13.12,;27.07,-12.17,;28.47,-12.69,;28.71,-14.15,;32.39,-15.46,;40.49,-20.23,;41.73,-21.16,;41.24,-22.62,;39.69,-22.6,;39.24,-21.12,)| Show InChI InChI=1S/C22H25N3O2S4/c26-31(27,20-6-3-12-29-20)23-14-15-7-9-16(10-8-15)24-22-25-21-17-4-1-2-5-18(17)28-13-11-19(21)30-22/h1-6,12,15-16,23H,7-11,13-14H2,(H,24,25)/t15-,16- | KEGG
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379601
(CHEMBL2013029)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1cn(C)c2ccccc12 |r,wU:8.7,wD:11.14,(35.85,-22.75,;34.52,-21.98,;34.52,-20.44,;33.18,-22.74,;33.95,-24.07,;32.41,-24.07,;31.85,-21.98,;30.52,-22.75,;29.18,-21.97,;27.85,-22.74,;26.52,-21.97,;26.52,-20.43,;27.85,-19.66,;29.18,-20.43,;25.19,-19.67,;23.86,-20.44,;23.86,-21.98,;22.52,-19.68,;21.19,-20.45,;21.03,-21.98,;19.52,-22.3,;18.89,-23.71,;18.75,-20.97,;17.25,-20.66,;16.77,-19.2,;17.8,-18.05,;19.3,-18.37,;19.78,-19.83,)| Show InChI InChI=1S/C21H31N3O3S/c1-15(2)28(26,27)22-13-16-8-10-18(11-9-16)23-21(25)12-17-14-24(3)20-7-5-4-6-19(17)20/h4-7,14-16,18,22H,8-13H2,1-3H3,(H,23,25)/t16-,18- | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50355849
(CHEMBL1909722)Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1 Show InChI InChI=1S/C19H27N3O2S3/c1-14(2)27(23,24)21-12-7-3-6-11-20-19-22-18-15-8-4-5-9-16(15)25-13-10-17(18)26-19/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3,(H,20,22) | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay |
Bioorg Med Chem Lett 21: 6500-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449332
(CHEMBL3126041)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCCC2=O)nc1 |r,wU:15.15,18.22,(18.54,-26.36,;19.31,-25.02,;18.54,-23.7,;19.31,-22.36,;18.54,-21.02,;20.85,-22.36,;21.62,-23.7,;20.85,-25.02,;23.16,-23.7,;23.93,-22.36,;25.47,-22.36,;26.24,-23.7,;27.78,-23.7,;28.55,-25.02,;27.78,-26.36,;30.1,-25.02,;30.87,-26.36,;32.41,-26.36,;33.18,-25.02,;32.41,-23.7,;30.87,-23.7,;34.72,-25.02,;35.49,-23.7,;37.03,-23.7,;37.8,-25.02,;37.03,-26.36,;35.49,-26.36,;34.72,-27.7,;25.47,-25.02,;23.93,-25.02,)| Show InChI InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)/t15-,20+ | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379605
(CHEMBL2013023)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)ccc12 |r,wU:8.7,wD:11.14,(12.82,1.29,;11.49,2.06,;11.49,3.6,;10.15,1.3,;10.91,-.03,;9.38,-.03,;8.82,2.07,;7.48,1.3,;6.15,2.07,;4.82,1.31,;3.49,2.07,;3.49,3.61,;4.82,4.39,;6.15,3.61,;2.16,4.38,;.82,3.6,;.83,2.06,;-.51,4.37,;-1.84,3.59,;-2.01,2.06,;-3.52,1.74,;-4.29,3.07,;-5.78,3.39,;-6.27,4.84,;-7.77,5.16,;-5.24,5.99,;-3.73,5.68,;-3.25,4.21,)| Show InChI InChI=1S/C20H28FN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8-11,14-15,18,22H,3-4,6-7,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
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UniChem
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PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354081
(CHEMBL1836327)Show SMILES CC(C)S(=O)(=O)NCCOCCNc1nc-2c(CCCc3ccc(F)cc-23)s1 Show InChI InChI=1S/C19H26FN3O3S2/c1-13(2)28(24,25)22-9-11-26-10-8-21-19-23-18-16-12-15(20)7-6-14(16)4-3-5-17(18)27-19/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,21,23) | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50353455
(CHEMBL1830049)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2N(CCc2c1)C1CNC1 Show InChI InChI=1S/C23H23N3O2/c27-23-13-21(28-16-17-4-2-1-3-5-17)9-11-26(23)19-6-7-22-18(12-19)8-10-25(22)20-14-24-15-20/h1-7,9,11-13,20,24H,8,10,14-16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor |
Bioorg Med Chem Lett 21: 5310-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372078
(CHEMBL272574)Show SMILES CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50353456
(CHEMBL1830050)Show SMILES CN1CC(C1)N1CCc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H25N3O2/c1-25-15-21(16-25)26-11-9-19-13-20(7-8-23(19)26)27-12-10-22(14-24(27)28)29-17-18-5-3-2-4-6-18/h2-8,10,12-14,21H,9,11,15-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor |
Bioorg Med Chem Lett 21: 5310-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50354071
(CHEMBL1836318)Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)| Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 5436-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372088
(CHEMBL257668)Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C16H15Cl2NO3/c1-15-3-4-16(2,22-15)12-11(15)13(20)19(14(12)21)10-6-8(17)5-9(18)7-10/h5-7,20-21H,3-4H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372089
(CHEMBL272509)Show SMILES CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19| Show InChI InChI=1S/C18H18N2O3S/c1-17-6-7-18(2,23-17)14-13(17)15(21)20(16(14)22)11-5-4-10(9-19)12(8-11)24-3/h4-5,8,21-22H,6-7H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449331
(CHEMBL3126043)Show SMILES C[C@@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,1.0,4.3,(23.3,-26.17,;22.05,-27.08,;20.58,-26.6,;19.68,-27.85,;18.14,-27.85,;17.37,-29.19,;15.83,-29.19,;15.06,-27.85,;15.83,-26.51,;17.37,-26.51,;13.52,-27.85,;12.75,-26.51,;12.75,-29.19,;11.21,-29.19,;10.44,-27.85,;8.9,-27.85,;8.13,-29.19,;8.9,-30.51,;10.44,-30.51,;6.59,-29.19,;5.82,-27.85,;4.28,-27.85,;3.51,-26.51,;3.51,-29.19,;4.28,-30.51,;3.51,-31.85,;5.82,-30.51,;20.58,-29.09,;20.11,-30.57,;22.05,-28.62,)| Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372103
(CHEMBL402807)Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)| Show InChI InChI=1S/C18H14N2O5/c21-17-15-13-7-8-14(25-13)16(15)18(22)19(17)11-5-6-12(20(23)24)10-4-2-1-3-9(10)11/h1-6,13-14,21-22H,7-8H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50372082
(CHEMBL446626)Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)| Show InChI InChI=1S/C17H14N4O3S/c1-16-5-6-17(2,24-16)11-10(16)14(22)21(15(11)23)9-4-3-8(7-18)12-13(9)20-25-19-12/h3-4,22-23H,5-6H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells |
Bioorg Med Chem Lett 18: 1910-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50355844
(CHEMBL1912087)Show SMILES Cc1nc(C)c(s1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C18H23N5O2S3/c1-13-17(27-14(2)22-13)28(24,25)21-11-6-3-5-10-20-18-23-16(12-26-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,23) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay |
Bioorg Med Chem Lett 21: 6500-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 23: 1398-406 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.078
BindingDB Entry DOI: 10.7270/Q2Q241KC |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353153
(CHEMBL1829325)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.7,-24.94,;9.37,-24.17,;9.37,-22.63,;8.04,-24.94,;7.25,-26.26,;8.79,-26.26,;6.71,-24.17,;5.37,-24.93,;4.04,-24.16,;4.04,-22.62,;2.7,-21.84,;1.37,-22.62,;1.37,-24.16,;2.7,-24.92,;.03,-21.85,;-1.29,-22.62,;-1.29,-24.16,;-2.63,-21.85,;-3.96,-22.63,;-3.96,-24.17,;-2.63,-24.94,;-5.3,-24.93,;-6.63,-24.17,;-6.63,-22.64,;-7.97,-21.86,;-7.97,-20.32,;-9.3,-19.55,;-6.64,-19.55,;-5.3,-20.31,;-5.3,-21.86,)| Show InChI InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)/t15-,18- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5573-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3 |
More data for this
Ligand-Target Pair | |
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