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PubMed code 19564110

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM29986
PNG
(arylpyrazole, 31)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
Show InChI InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29986
PNG
(arylpyrazole, 31)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
Show InChI InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296580
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES CC(C)n1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296581
PNG
((1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-...)
Show SMILES CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296580
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES CC(C)n1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
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n/an/a 0.920n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296590
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-4-(methoxymethy...)
Show SMILES COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O/c1-24-18(11-5-13(20)7-14(21)6-11)16(10-25-2)17(23-24)9-22-15-4-3-12(19)8-15/h5-7,12,15,22H,3-4,8-10H2,1-2H3/t12-,15+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296590
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-4-(methoxymethy...)
Show SMILES COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O/c1-24-18(11-5-13(20)7-14(21)6-11)16(10-25-2)17(23-24)9-22-15-4-3-12(19)8-15/h5-7,12,15,22H,3-4,8-10H2,1-2H3/t12-,15+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296581
PNG
((1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-...)
Show SMILES CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296582
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C17H22F2N4/c1-10-16(9-21-14-5-4-13(18)7-14)22-23(3)17(10)12-6-15(19)11(2)20-8-12/h6,8,13-14,21H,4-5,7,9H2,1-3H3/t13-,14+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296589
PNG
((1S,3R)-N-((4-chloro-5-(3,5-difluorophenyl)-1-meth...)
Show SMILES Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C16H17ClF3N3/c1-23-16(9-4-11(19)6-12(20)5-9)15(17)14(22-23)8-21-13-3-2-10(18)7-13/h4-6,10,13,21H,2-3,7-8H2,1H3/t10-,13+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296586
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C17H20F3N3/c1-10-16(9-21-15-4-3-12(18)8-15)22-23(2)17(10)11-5-13(19)7-14(20)6-11/h5-7,12,15,21H,3-4,8-9H2,1-2H3/t12-,15+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296586
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C17H20F3N3/c1-10-16(9-21-15-4-3-12(18)8-15)22-23(2)17(10)11-5-13(19)7-14(20)6-11/h5-7,12,15,21H,3-4,8-9H2,1-2H3/t12-,15+/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296582
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C17H22F2N4/c1-10-16(9-21-14-5-4-13(18)7-14)22-23(3)17(10)12-6-15(19)11(2)20-8-12/h6,8,13-14,21H,4-5,7,9H2,1-3H3/t13-,14+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296584
PNG
((1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H20F3N3/c1-10-16(9-21-13-5-4-12(18)8-13)22-23(2)17(10)11-3-6-14(19)15(20)7-11/h3,6-7,12-13,21H,4-5,8-9H2,1-2H3/t12-,13+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296584
PNG
((1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C17H20F3N3/c1-10-16(9-21-13-5-4-12(18)8-13)22-23(2)17(10)11-3-6-14(19)15(20)7-11/h3,6-7,12-13,21H,4-5,8-9H2,1-2H3/t12-,13+/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296583
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C16H20F2N4/c1-9-15(8-20-13-4-3-12(17)6-13)21-22-16(9)11-5-14(18)10(2)19-7-11/h5,7,12-13,20H,3-4,6,8H2,1-2H3,(H,21,22)/t12-,13+/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296589
PNG
((1S,3R)-N-((4-chloro-5-(3,5-difluorophenyl)-1-meth...)
Show SMILES Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C16H17ClF3N3/c1-23-16(9-4-11(19)6-12(20)5-9)15(17)14(22-23)8-21-13-3-2-10(18)7-13/h4-6,10,13,21H,2-3,7-8H2,1H3/t10-,13+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296583
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C16H20F2N4/c1-9-15(8-20-13-4-3-12(17)6-13)21-22-16(9)11-5-14(18)10(2)19-7-11/h5,7,12-13,20H,3-4,6,8H2,1-2H3,(H,21,22)/t12-,13+/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296592
PNG
(1-(5-(3,5-difluorophenyl)-3-(((1S,3R)-3-fluorocycl...)
Show SMILES CC(=O)Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H22F3N3O/c1-11(26)10-25-19(13-5-15(21)7-16(22)6-13)12(2)18(24-25)9-23-17-4-3-14(20)8-17/h5-7,14,17,23H,3-4,8-10H2,1-2H3/t14-,17+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296585
PNG
((1S,3R)-N-((1,4-dimethyl-5-(3,4,5-trifluorophenyl)...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H19F4N3/c1-9-15(8-22-12-4-3-11(18)7-12)23-24(2)17(9)10-5-13(19)16(21)14(20)6-10/h5-6,11-12,22H,3-4,7-8H2,1-2H3/t11-,12+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296593
PNG
(2-(5-(3,5-difluorophenyl)-3-(((1S,3R)-3-fluorocycl...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCO)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O/c1-11-17(10-22-16-3-2-13(19)9-16)23-24(4-5-25)18(11)12-6-14(20)8-15(21)7-12/h6-8,13,16,22,25H,2-5,9-10H2,1H3/t13-,16+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296585
PNG
((1S,3R)-N-((1,4-dimethyl-5-(3,4,5-trifluorophenyl)...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 |r|
Show InChI InChI=1S/C17H19F4N3/c1-9-15(8-22-12-4-3-11(18)7-12)23-24(2)17(9)10-5-13(19)16(21)14(20)6-10/h5-6,11-12,22H,3-4,7-8H2,1-2H3/t11-,12+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296587
PNG
((1S,3R)-N-((5-(3-chloro-5-fluorophenyl)-1,4-dimeth...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C17H20ClF2N3/c1-10-16(9-21-15-4-3-13(19)8-15)22-23(2)17(10)11-5-12(18)7-14(20)6-11/h5-7,13,15,21H,3-4,8-9H2,1-2H3/t13-,15+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296591
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F3N3O2S/c1-12-18(11-23-17-4-3-14(20)10-17)24-25(5-6-28(2,26)27)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,23H,3-6,10-11H2,1-2H3/t14-,17+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296588
PNG
((1S,3R)-3-fluoro-N-((5-(3-fluoro-5-(trifluoromethy...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H20F5N3/c1-10-16(9-24-15-4-3-13(19)8-15)25-26(2)17(10)11-5-12(18(21,22)23)7-14(20)6-11/h5-7,13,15,24H,3-4,8-9H2,1-2H3/t13-,15+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells overexpressing Ikr channel protein


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296579
PNG
(3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%