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Compile Data Set for Download or QSAR

Found 4179 hits with Last Name = 'west' and Initial = 'a'   
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
Alternative oxidase, mitochondrial


(Trypanosoma brucei brucei)
BDBM50459778
PNG
(Ascofuranone | US11565996, Compound Ascochlorin)
Show SMILES [H][C@]1(CC(=O)C(C)(C)O1)C(\C)=C\CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |r|
Show InChI InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei alternative oxidase expressed in Escherichia coli FN102 using ubiquinol-1 as substrate preincubated for 2 mins follo...


Eur J Med Chem 141: 676-689 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.067
BindingDB Entry DOI: 10.7270/Q2028V6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311512
PNG
(2-(3-(1-cyclodecylpiperidin-4-yl)-2-oxo-2,3-dihydr...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCCCC2)c1=O
Show InChI InChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30)
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090762
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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0.320n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090763
PNG
((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33)
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090756
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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0.480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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0.590n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50030004
PNG
(1-((S)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053667
PNG
(CHEMBL552643 | Trifluoro-methanesulfonic acid (S)-...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C27H36F4N2O5S/c1-2-13-32(14-5-6-15-33-24(34)17-26(18-25(33)35)11-3-4-12-26)19-7-8-20-21(16-19)23(10-9-22(20)28)38-39(36,37)27(29,30)31/h9-10,19H,2-8,11-18H2,1H3/t19-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200613
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200594
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053661
PNG
(8-{4-[((R)-5-Fluoro-8-furan-2-yl-1,2,3,4-tetrahydr...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1
Show InChI InChI=1S/C30H39FN2O3/c1-2-15-32(16-5-6-17-33-28(34)20-30(21-29(33)35)13-3-4-14-30)22-9-10-23-25(19-22)24(11-12-26(23)31)27-8-7-18-36-27/h7-8,11-12,18,22H,2-6,9-10,13-17,19-21H2,1H3/t22-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311487
PNG
(2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
Show InChI InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311511
PNG
(CHEMBL1088171 | N-methyl-2-(2-oxo-3-(1-(spiro[5.5]...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
Show InChI InChI=1S/C26H38N4O2/c1-27-24(31)19-29-22-9-3-4-10-23(22)30(25(29)32)20-11-16-28(17-12-20)21-8-7-15-26(18-21)13-5-2-6-14-26/h3-4,9-10,20-21H,2,5-8,11-19H2,1H3,(H,27,31)
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50011247
PNG
(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053678
PNG
(((S)-8-Furan-2-yl-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCC)[C@H]1CCc2cccc(-c3ccco3)c2C1
Show InChI InChI=1S/C20H27NO/c1-3-12-21(13-4-2)17-11-10-16-7-5-8-18(19(16)15-17)20-9-6-14-22-20/h5-9,14,17H,3-4,10-13,15H2,1-2H3/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50030025
PNG
(1-((R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C18H27NO/c1-4-11-19(12-5-2)16-10-9-15-7-6-8-17(14(3)20)18(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200589
PNG
(2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
Show InChI InChI=1S/C30H42N4O4/c1-22(2)26(38-27-19-25(37-5)12-11-23(27)3)13-16-32-17-14-30(15-18-32)29(36)33(20-28(35)31-4)21-34(30)24-9-7-6-8-10-24/h6-12,19,22,26H,13-18,20-21H2,1-5H3,(H,31,35)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200611
PNG
(8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
Show InChI InChI=1S/C27H37N3O3/c1-20(2)24(33-25-18-23(32-4)11-10-21(25)3)12-15-29-16-13-27(14-17-29)26(31)28-19-30(27)22-8-6-5-7-9-22/h5-11,18,20,24H,12-17,19H2,1-4H3,(H,28,31)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200597
PNG
(1-(1-(3-(5-methoxy-2-methylphenoxy)-4-methylpentyl...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200601
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
Show InChI InChI=1S/C29H42N4O3/c1-21(2)27(36-28-20-24(35-5)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(29(33)34)19-15-30-4/h6-11,20-21,23,27,30H,12-19H2,1-5H3
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311487
PNG
(2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
Show InChI InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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2.37n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311485
PNG
(2-[3-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-2,3-d...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C24H38N4O3S/c1-25-24(29)19-27-22-13-9-10-14-23(22)28(32(27,30)31)21-15-17-26(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,25,29)
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311497
PNG
(CHEMBL1080508 | N-methyl-2-(3-(1-((4-methylnaphtha...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-19-11-12-20(23-8-4-3-7-22(19)23)17-29-15-13-21(14-16-29)31-25-10-6-5-9-24(25)30(27(31)33)18-26(32)28-2/h3-12,21H,13-18H2,1-2H3,(H,28,32)
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311472
PNG
(2-{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(46.18,10.07,;44.85,9.29,;44.85,7.75,;46.18,6.98,;43.52,6.97,;43.52,5.43,;44.84,4.67,;44.85,3.15,;46.19,2.39,;46.19,.84,;44.85,.07,;43.52,.84,;43.52,2.38,;42.2,3.14,;40.87,2.37,;39.53,3.13,;38.21,2.36,;38.2,.82,;39.54,.06,;40.88,.83,;36.87,.06,;35.53,.83,;34.2,.07,;34.2,-1.47,;35.53,-2.24,;36.87,-1.48,;32.86,-2.24,;31.53,-1.46,;32.85,-3.78,;42.2,4.67,;40.7,4.27,;41.42,6,)|
Show InChI InChI=1S/C24H38N4O3S/c1-18(2)19-8-10-21(11-9-19)26-14-12-22(13-15-26)28-23-7-5-4-6-20(23)16-27(32(28,30)31)17-24(29)25-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,25,29)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200610
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C30H41N3O4/c1-6-24(34)20-32-26-9-7-8-10-27(26)33(30(32)35)23-13-16-31(17-14-23)18-15-28(21(2)3)37-29-19-25(36-5)12-11-22(29)4/h7-12,19,21,23,28H,6,13-18,20H2,1-5H3
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200614
PNG
(1-methanesulfonylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O5S/c1-20(2)26(36-27-18-23(35-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-37(5,33)34/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200608
PNG
(CHEMBL238818 | N-cyclopropyl-2-(3-{1-[3-(5-methoxy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C31H42N4O4/c1-21(2)28(39-29-19-25(38-4)12-9-22(29)3)15-18-33-16-13-24(14-17-33)35-27-8-6-5-7-26(27)34(31(35)37)20-30(36)32-23-10-11-23/h5-9,12,19,21,23-24,28H,10-11,13-18,20H2,1-4H3,(H,32,36)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200607
PNG
(2-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H38N4O4/c1-19(2)25(36-26-17-22(35-4)10-9-20(26)3)13-16-30-14-11-21(12-15-30)32-24-8-6-5-7-23(24)31(28(32)34)18-27(29)33/h5-10,17,19,21,25H,11-16,18H2,1-4H3,(H2,29,33)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50159903
PNG
(1-{1-[3-(2-Chloro-5-methoxy-phenoxy)-4-methyl-pent...)
Show SMILES COc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1
Show InChI InChI=1S/C25H32ClN3O3/c1-17(2)23(32-24-16-19(31-3)8-9-20(24)26)12-15-28-13-10-18(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-18,23H,10-15H2,1-3H3,(H,27,30)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO)...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311505
PNG
(2-(3-(1-(decahydronaphthalen-2-yl)piperidin-4-yl)-...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC3CCCCC3C2)c1=O
Show InChI InChI=1S/C25H36N4O2/c1-26-24(30)17-28-22-8-4-5-9-23(22)29(25(28)31)20-12-14-27(15-13-20)21-11-10-18-6-2-3-7-19(18)16-21/h4-5,8-9,18-21H,2-3,6-7,10-17H2,1H3,(H,26,30)
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3.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311491
PNG
(2-(3-(1-(biphenyl-2-ylmethyl)piperidin-4-yl)-2-oxo...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c1=O
Show InChI InChI=1S/C28H30N4O2/c1-29-27(33)20-31-25-13-7-8-14-26(25)32(28(31)34)23-15-17-30(18-16-23)19-22-11-5-6-12-24(22)21-9-3-2-4-10-21/h2-14,23H,15-20H2,1H3,(H,29,33)
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053668
PNG
(CHEMBL131547 | Dipropyl-((R)-8-trifluoromethanesul...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(c2C1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO2S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3/t14-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200597
PNG
(1-(1-(3-(5-methoxy-2-methylphenoxy)-4-methylpentyl...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO)...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200598
PNG
(1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200588
PNG
((3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpent...)
Show SMILES COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C29H39N3O5/c1-20(2)26(37-27-18-23(35-4)11-10-21(27)3)14-17-30-15-12-22(13-16-30)32-25-9-7-6-8-24(25)31(29(32)34)19-28(33)36-5/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200618
PNG
(1-methanesulfinylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O4S/c1-20(2)26(35-27-18-23(34-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-36(5)33/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311507
PNG
(CHEMBL1087276 | N-methyl-2-(2-oxo-3-(1-(2,2,4,4-te...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2(C)C)c1=O
Show InChI InChI=1S/C25H38N4O2/c1-24(2)13-10-21(25(3,4)17-24)27-14-11-18(12-15-27)29-20-9-7-6-8-19(20)28(23(29)31)16-22(30)26-5/h6-9,18,21H,10-17H2,1-5H3,(H,26,30)
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4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053660
PNG
(8-{4-[((S)-5-Fluoro-8-methoxy-1,2,3,4-tetrahydro-n...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OC)c2C1
Show InChI InChI=1S/C27H39FN2O3/c1-3-14-29(20-8-9-21-22(17-20)24(33-2)11-10-23(21)28)15-6-7-16-30-25(31)18-27(19-26(30)32)12-4-5-13-27/h10-11,20H,3-9,12-19H2,1-2H3/t20-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200596
PNG
(CHEMBL240085 | N-ethyl-2-(3-{1-[3-(5-methoxy-2-met...)
Show SMILES CCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
Show InChI InChI=1S/C30H42N4O4/c1-6-31-29(35)20-33-25-9-7-8-10-26(25)34(30(33)36)23-13-16-32(17-14-23)18-15-27(21(2)3)38-28-19-24(37-5)12-11-22(28)4/h7-12,19,21,23,27H,6,13-18,20H2,1-5H3,(H,31,35)
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5n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
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