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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'rosenthal' and Initial = 'di'   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060848
PNG
(CHEMBL3394751)
Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1S/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060837
PNG
(CHEMBL3394744)
Show SMILES COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1S/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060843
PNG
(CHEMBL3394748)
Show SMILES O[C@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060893
PNG
(CHEMBL3394753)
Show SMILES COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1S/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103722
PNG
(CHEMBL3084802 | N-{4-[5-Amino-1-(3-trifluoromethyl...)
Show SMILES Nc1cc(nn1-c1cccc(c1)C(F)(F)F)C1CCC(CNS(=O)(=O)c2ccccc2[N+]([O-])=O)CC1 |(.85,-2.45,;1.97,-1.38,;3.48,-1.66,;4.21,-.31,;3.16,.79,;1.77,.14,;.43,.88,;.38,2.42,;-.97,3.16,;-2.28,2.36,;-2.24,.81,;-.9,.07,;-3.57,.02,;-4.77,-.71,;-5.08,.55,;-3.79,-1.59,;5.75,-.12,;6.33,1.3,;7.84,1.51,;8.79,.27,;10.32,.48,;10.9,1.89,;12.43,2.09,;11.62,3.41,;13.48,3.22,;13.27,.79,;12.56,-.57,;13.39,-1.87,;14.93,-1.8,;15.63,-.4,;14.79,.88,;15.49,2.24,;17.03,2.32,;14.65,3.54,;8.19,-1.15,;6.68,-1.34,)|
Show InChI InChI=1S/C23H24F3N5O4S/c24-23(25,26)17-4-3-5-18(12-17)30-22(27)13-19(29-30)16-10-8-15(9-11-16)14-28-36(34,35)21-7-2-1-6-20(21)31(32)33/h1-7,12-13,15-16,28H,8-11,14,27H2
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n/an/a 10n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060844
PNG
(CHEMBL3394749)
Show SMILES Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103712
PNG
(CHEMBL430414 | N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-16-3-9-19(10-4-16)27-23(24)15-22(25-27)17-5-7-18(8-6-17)26-31(28,29)21-13-11-20(30-2)12-14-21/h3-15,26H,24H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060903
PNG
(CHEMBL3394756)
Show SMILES CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1 |r|
Show InChI InChI=1S/C38H56FN5O3/c1-28(2)35(40)36(46)42(24-31-13-11-29(3)12-14-31)25-34(45)26-43-27-44(33-17-15-32(39)16-18-33)38(37(43)47)19-21-41(22-20-38)23-30-9-7-5-4-6-8-10-30/h11-18,28,30,34-35,45H,4-10,19-27,40H2,1-3H3/t34-,35+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060846
PNG
(CHEMBL3394750)
Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060842
PNG
(CHEMBL3394747)
Show SMILES O[C@@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060836
PNG
(CHEMBL3394743)
Show SMILES COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1S/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060904
PNG
(CHEMBL3394742)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060838
PNG
(CHEMBL3394745)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1S/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060863
PNG
(CHEMBL3394752)
Show SMILES CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C32H42N4O2S/c1-31(2,3)33-22-27(37)23-35-24-36(26-11-5-4-6-12-26)32(30(35)38)16-19-34(20-17-32)18-15-25-10-7-8-13-28(25)29-14-9-21-39-29/h4-14,21,27,33,37H,15-20,22-24H2,1-3H3/t27-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060841
PNG
(CHEMBL3394746)
Show SMILES CCCCN(C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060863
PNG
(CHEMBL3394752)
Show SMILES CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C32H42N4O2S/c1-31(2,3)33-22-27(37)23-35-24-36(26-11-5-4-6-12-26)32(30(35)38)16-19-34(20-17-32)18-15-25-10-7-8-13-28(25)29-14-9-21-39-29/h4-14,21,27,33,37H,15-20,22-24H2,1-3H3/t27-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060836
PNG
(CHEMBL3394743)
Show SMILES COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1S/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060844
PNG
(CHEMBL3394749)
Show SMILES Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060848
PNG
(CHEMBL3394751)
Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1S/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103733
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H15F3N4O/c1-13-10-19(27-28(13)16-6-3-5-15(11-16)21(22,23)24)20(29)26-18-7-2-4-14-12-25-9-8-17(14)18/h2-12H,1H3,(H,26,29)
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n/an/a 80n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060843
PNG
(CHEMBL3394748)
Show SMILES O[C@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060902
PNG
(CHEMBL3394755)
Show SMILES COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1S/C35H50FN3O5/c1-42-32-15-10-27(22-33(32)43-2)16-21-44-25-31(40)24-38-26-39(30-13-11-29(36)12-14-30)35(34(38)41)17-19-37(20-18-35)23-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,40H,3-9,16-21,23-26H2,1-2H3/t31-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060838
PNG
(CHEMBL3394745)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060846
PNG
(CHEMBL3394750)
Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060837
PNG
(CHEMBL3394744)
Show SMILES COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1S/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103721
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H12Cl2F3N3O/c1-10-5-16(17(27)24-14-8-12(19)7-13(20)9-14)25-26(10)15-4-2-3-11(6-15)18(21,22)23/h2-9H,1H3,(H,24,27)
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n/an/a 150n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060842
PNG
(CHEMBL3394747)
Show SMILES O[C@@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1S/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060841
PNG
(CHEMBL3394746)
Show SMILES CCCCN(C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/m1/s1
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n/an/a 166n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103720
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C22H20F3N3O/c1-14-12-20(27-28(14)17-9-5-8-16(13-17)22(23,24)25)21(29)26-19-11-4-7-15-6-2-3-10-18(15)19/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,26,29)
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n/an/a 197n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50060893
PNG
(CHEMBL3394753)
Show SMILES COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1S/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103718
PNG
(5-Methyl-1-m-tolyl-1H-pyrazole-3-carboxylic acid (...)
Show SMILES Cc1cc(nn1-c1cccc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H15Cl2N3O/c1-11-4-3-5-16(6-11)23-12(2)7-17(22-23)18(24)21-15-9-13(19)8-14(20)10-15/h3-10H,1-2H3,(H,21,24)
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n/an/a 218n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103742
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C21H15F3N4O/c1-13-11-19(27-28(13)15-6-2-5-14(12-15)21(22,23)24)20(29)26-18-9-3-8-17-16(18)7-4-10-25-17/h2-12H,1H3,(H,26,29)
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n/an/a 232n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103731
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C18H12F5N3O/c1-10-8-15(17(27)24-16-13(19)6-3-7-14(16)20)25-26(10)12-5-2-4-11(9-12)18(21,22)23/h2-9H,1H3,(H,24,27)
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n/an/a 233n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50060904
PNG
(CHEMBL3394742)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103727
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Nc1ccccc1
Show InChI InChI=1S/C24H19F3N4O/c1-16-14-22(30-31(16)19-11-7-8-17(15-19)24(25,26)27)23(32)29-21-13-6-5-12-20(21)28-18-9-3-2-4-10-18/h2-15,28H,1H3,(H,29,32)
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n/an/a 267n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103737
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C25H20F3N3O/c1-17-14-23(30-31(17)21-12-7-11-20(16-21)25(26,27)28)24(32)29-22-13-6-5-10-19(22)15-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,29,32)
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n/an/a 292n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103724
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H16F3N3O/c1-14-12-20(27-28(14)17-9-5-8-16(13-17)22(23,24)25)21(29)26-19-11-4-7-15-6-2-3-10-18(15)19/h2-13H,1H3,(H,26,29)
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n/an/a 356n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103736
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C18H13BrF3N3O/c1-11-8-16(17(26)23-14-6-3-5-13(19)10-14)24-25(11)15-7-2-4-12(9-15)18(20,21)22/h2-10H,1H3,(H,23,26)
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n/an/a 359n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103741
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H13F6N3O2/c1-11-8-16(27-28(11)14-6-2-4-12(9-14)18(20,21)22)17(29)26-13-5-3-7-15(10-13)30-19(23,24)25/h2-10H,1H3,(H,26,29)
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n/an/a 431n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103726
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClF3N3O/c1-11-8-16(17(26)23-14-6-3-5-13(19)10-14)24-25(11)15-7-2-4-12(9-15)18(20,21)22/h2-10H,1H3,(H,23,26)
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n/an/a 520n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1S/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50185133
PNG
(CHEMBL379097 | N-(2-fluorophenyl)-2-(1-(3-(2-(pyri...)
Show SMILES Fc1ccccc1NC(=O)CC1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C27H24FN3O2/c28-24-9-1-2-10-25(24)30-26(32)19-21-13-16-31(17-14-21)27(33)22-7-5-6-20(18-22)11-12-23-8-3-4-15-29-23/h1-10,15,18,21H,13-14,16-17,19H2,(H,30,32)
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n/an/a 550n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human NK2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3065-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.027
BindingDB Entry DOI: 10.7270/Q2MG7P39
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103744
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C19H16F3N3O/c1-12-6-3-4-9-16(12)23-18(26)17-10-13(2)25(24-17)15-8-5-7-14(11-15)19(20,21)22/h3-11H,1-2H3,(H,23,26)
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n/an/a 573n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103735
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C19H16F3N3O/c1-12-5-3-7-15(9-12)23-18(26)17-10-13(2)25(24-17)16-8-4-6-14(11-16)19(20,21)22/h3-11H,1-2H3,(H,23,26)
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n/an/a 622n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50185133
PNG
(CHEMBL379097 | N-(2-fluorophenyl)-2-(1-(3-(2-(pyri...)
Show SMILES Fc1ccccc1NC(=O)CC1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C27H24FN3O2/c28-24-9-1-2-10-25(24)30-26(32)19-21-13-16-31(17-14-21)27(33)22-7-5-6-20(18-22)11-12-23-8-3-4-15-29-23/h1-10,15,18,21H,13-14,16-17,19H2,(H,30,32)
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n/an/a 640n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human NK1 receptor expressed in U373MG cells


Bioorg Med Chem Lett 16: 3065-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.027
BindingDB Entry DOI: 10.7270/Q2MG7P39
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103730
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(I)c1
Show InChI InChI=1S/C18H13F3IN3O/c1-11-8-16(17(26)23-14-6-3-5-13(22)10-14)24-25(11)15-7-2-4-12(9-15)18(19,20)21/h2-10H,1H3,(H,23,26)
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n/an/a 670n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103723
PNG
(5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (3...)
Show SMILES Cc1cc(nn1-c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O/c1-11-7-16(21-22(11)15-5-3-2-4-6-15)17(23)20-14-9-12(18)8-13(19)10-14/h2-10H,1H3,(H,20,23)
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n/an/a 759n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103729
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C22H17F3N4O/c1-15-13-19(27-29(15)17-8-6-7-16(14-17)22(23,24)25)21(30)26-18-9-2-3-10-20(18)28-11-4-5-12-28/h2-14H,1H3,(H,26,30)
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n/an/a 763n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50103745
PNG
(5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H13F4N3O/c1-11-9-16(17(26)23-14-7-5-13(19)6-8-14)24-25(11)15-4-2-3-12(10-15)18(20,21)22/h2-10H,1H3,(H,23,26)
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n/an/a 800n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 5 (NPY5) in HEK 293 cell line assayed by using [125I]-PYY as radioligand


Bioorg Med Chem Lett 11: 2287-90 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G6S
More data for this
Ligand-Target Pair
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