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PubMed code 16632355

Compile data set for download or QSAR
Found 116 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))
BDBM50185799
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185800
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185796
PNG
(5-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C26H25ClN2/c1-16-25(22-15-20(27)8-9-23(22)28-16)18-10-12-29(13-11-18)24-14-19-6-2-4-17-5-3-7-21(24)26(17)19/h2-9,15,18,24,28H,10-14H2,1H3
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185805
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-23-21(14-19)22(15-27-23)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-20(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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18n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185813
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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52n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185811
PNG
(7-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23ClN2/c26-22-9-3-7-19-21(15-27-25(19)22)16-10-12-28(13-11-16)23-14-18-6-1-4-17-5-2-8-20(23)24(17)18/h1-9,15-16,23,27H,10-14H2
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57n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185788
PNG
((2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperi...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
Show InChI InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1
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62n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185803
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3/c1-27-16-22(20-9-4-12-26-25(20)27)17-10-13-28(14-11-17)23-15-19-7-2-5-18-6-3-8-21(23)24(18)19/h2-9,12,16-17,23H,10-11,13-15H2,1H3
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81n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185812
PNG
(2-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4...)
Show SMILES OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C26H27N3O/c30-15-14-29-17-23(21-8-3-11-27-26(21)29)18-9-12-28(13-10-18)24-16-20-6-1-4-19-5-2-7-22(24)25(19)20/h1-8,11,17-18,24,30H,9-10,12-16H2
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94n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185786
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C25H21FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-9,14-15,24,27H,10-13H2
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160n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185799
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3
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170n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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180n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185792
PNG
(3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole | CH...)
Show SMILES Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16,22H,8-11,14H2
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230n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185811
PNG
(7-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23ClN2/c26-22-9-3-7-19-21(15-27-25(19)22)16-10-12-28(13-11-16)23-14-18-6-1-4-17-5-2-8-20(23)24(17)18/h1-9,15-16,23,27H,10-14H2
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260n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185796
PNG
(5-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C26H25ClN2/c1-16-25(22-15-20(27)8-9-23(22)28-16)18-10-12-29(13-11-18)24-14-19-6-2-4-17-5-3-7-21(24)26(17)19/h2-9,15,18,24,28H,10-14H2,1H3
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260n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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290n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185808
PNG
(3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N3O/c1-2-5-21(6-3-1)29-22-10-8-19(9-11-22)18-28-15-12-20(13-16-28)24-17-27-25-23(24)7-4-14-26-25/h1-11,14,17,20H,12-13,15-16,18H2,(H,26,27)
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330n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185807
PNG
(5-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-2-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C23H33ClN2/c1-17-23(21-15-20(24)9-10-22(21)25-17)19-11-13-26(14-12-19)16-18-7-5-3-2-4-6-8-18/h9-10,15,18-19,25H,2-8,11-14,16H2,1H3
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330n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185792
PNG
(3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole | CH...)
Show SMILES Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16,22H,8-11,14H2
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330n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185802
PNG
(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1H-pyr...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3/c1-2-8-20-17(5-1)6-3-7-19(20)16-26-13-10-18(11-14-26)22-15-25-23-21(22)9-4-12-24-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,24,25)
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340n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185800
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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390n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185798
PNG
(7-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C22H31ClN2/c23-21-10-6-9-19-20(15-24-22(19)21)18-11-13-25(14-12-18)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17-18,24H,1-5,7-8,11-14,16H2
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430n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185805
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-23-21(14-19)22(15-27-23)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-20(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185812
PNG
(2-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4...)
Show SMILES OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C26H27N3O/c30-15-14-29-17-23(21-8-3-11-27-26(21)29)18-9-12-28(13-10-18)24-16-20-6-1-4-19-5-2-7-22(24)25(19)20/h1-8,11,17-18,24,30H,9-10,12-16H2
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530n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185806
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H31N3/c1-2-4-7-17(8-5-3-1)16-24-13-10-18(11-14-24)20-15-23-21-19(20)9-6-12-22-21/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14,16H2,(H,22,23)
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550n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185798
PNG
(7-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C22H31ClN2/c23-21-10-6-9-19-20(15-24-22(19)21)18-11-13-25(14-12-18)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17-18,24H,1-5,7-8,11-14,16H2
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660n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185796
PNG
(5-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C26H25ClN2/c1-16-25(22-15-20(27)8-9-23(22)28-16)18-10-12-29(13-11-18)24-14-19-6-2-4-17-5-3-7-21(24)26(17)19/h2-9,15,18,24,28H,10-14H2,1H3
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680n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185807
PNG
(5-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-2-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C23H33ClN2/c1-17-23(21-15-20(24)9-10-22(21)25-17)19-11-13-26(14-12-19)16-18-7-5-3-2-4-6-8-18/h9-10,15,18-19,25H,2-8,11-14,16H2,1H3
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710n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185802
PNG
(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1H-pyr...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3/c1-2-8-20-17(5-1)6-3-7-19(20)16-26-13-10-18(11-14-26)22-15-25-23-21(22)9-4-12-24-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,24,25)
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710n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185795
PNG
(5-chloro-2-methyl-3-(1-(naphthalen-1-ylmethyl)pipe...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25ClN2/c1-17-25(23-15-21(26)9-10-24(23)27-17)19-11-13-28(14-12-19)16-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,15,19,27H,11-14,16H2,1H3
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750n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185788
PNG
((2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperi...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
Show InChI InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1
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760n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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820n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185802
PNG
(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1H-pyr...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3/c1-2-8-20-17(5-1)6-3-7-19(20)16-26-13-10-18(11-14-26)22-15-25-23-21(22)9-4-12-24-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,24,25)
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820n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185795
PNG
(5-chloro-2-methyl-3-(1-(naphthalen-1-ylmethyl)pipe...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25ClN2/c1-17-25(23-15-21(26)9-10-24(23)27-17)19-11-13-28(14-12-19)16-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,15,19,27H,11-14,16H2,1H3
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880n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185803
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3/c1-27-16-22(20-9-4-12-26-25(20)27)17-10-13-28(14-11-17)23-15-19-7-2-5-18-6-3-8-21(23)24(18)19/h2-9,12,16-17,23H,10-11,13-15H2,1H3
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900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185813
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185789
PNG
((R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fl...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C27H42FN3O/c1-29(2)18-24(32)19-31-20-26(25-16-23(28)10-11-27(25)31)22-12-14-30(15-13-22)17-21-8-6-4-3-5-7-9-21/h10-11,16,20-22,24,32H,3-9,12-15,17-19H2,1-2H3/t24-/m1/s1
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970n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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1.01E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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1.08E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185792
PNG
(3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole | CH...)
Show SMILES Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16,22H,8-11,14H2
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1.14E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185798
PNG
(7-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C22H31ClN2/c23-21-10-6-9-19-20(15-24-22(19)21)18-11-13-25(14-12-18)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17-18,24H,1-5,7-8,11-14,16H2
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1.17E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185807
PNG
(5-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-2-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C23H33ClN2/c1-17-23(21-15-20(24)9-10-22(21)25-17)19-11-13-26(14-12-19)16-18-7-5-3-2-4-6-8-18/h9-10,15,18-19,25H,2-8,11-14,16H2,1H3
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1.36E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185797
PNG
(1-((R)-3-amino-2-hydroxypropyl)-3-(1-(1,2-dihydroa...)
Show SMILES NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Show InChI InChI=1S/C29H28N4O/c30-15-19-7-8-27-25(13-19)26(18-33(27)17-23(34)16-31)20-9-11-32(12-10-20)28-14-22-5-1-3-21-4-2-6-24(28)29(21)22/h1-9,13,18,23,28,34H,10-12,14,16-17,31H2/t23-,28?/m1/s1
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1.65E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185805
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-23-21(14-19)22(15-27-23)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-20(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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1.89E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185789
PNG
((R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fl...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C27H42FN3O/c1-29(2)18-24(32)19-31-20-26(25-16-23(28)10-11-27(25)31)22-12-14-30(15-13-22)17-21-8-6-4-3-5-7-9-21/h10-11,16,20-22,24,32H,3-9,12-15,17-19H2,1-2H3/t24-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185806
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H31N3/c1-2-4-7-17(8-5-3-1)16-24-13-10-18(11-14-24)20-15-23-21-19(20)9-6-12-22-21/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14,16H2,(H,22,23)
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2.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185811
PNG
(7-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23ClN2/c26-22-9-3-7-19-21(15-27-25(19)22)16-10-12-28(13-11-16)23-14-18-6-1-4-17-5-2-8-20(23)24(17)18/h1-9,15-16,23,27H,10-14H2
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2.60E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185789
PNG
((R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fl...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C27H42FN3O/c1-29(2)18-24(32)19-31-20-26(25-16-23(28)10-11-27(25)31)22-12-14-30(15-13-22)17-21-8-6-4-3-5-7-9-21/h10-11,16,20-22,24,32H,3-9,12-15,17-19H2,1-2H3/t24-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185796
PNG
(5-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C26H25ClN2/c1-16-25(22-15-20(27)8-9-23(22)28-16)18-10-12-29(13-11-18)24-14-19-6-2-4-17-5-3-7-21(24)26(17)19/h2-9,15,18,24,28H,10-14H2,1H3
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2.75E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185800
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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2.78E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185787
PNG
(3-(1-(cyclohexylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H27N3/c1-2-5-15(6-3-1)14-22-11-8-16(9-12-22)18-13-21-19-17(18)7-4-10-20-19/h4,7,10,13,15-16H,1-3,5-6,8-9,11-12,14H2,(H,20,21)
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3.50E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185806
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H31N3/c1-2-4-7-17(8-5-3-1)16-24-13-10-18(11-14-24)20-15-23-21-19(20)9-6-12-22-21/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14,16H2,(H,22,23)
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3.89E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185797
PNG
(1-((R)-3-amino-2-hydroxypropyl)-3-(1-(1,2-dihydroa...)
Show SMILES NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Show InChI InChI=1S/C29H28N4O/c30-15-19-7-8-27-25(13-19)26(18-33(27)17-23(34)16-31)20-9-11-32(12-10-20)28-14-22-5-1-3-21-4-2-6-24(28)29(21)22/h1-9,13,18,23,28,34H,10-12,14,16-17,31H2/t23-,28?/m1/s1
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4.14E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185807
PNG
(5-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-2-...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C23H33ClN2/c1-17-23(21-15-20(24)9-10-22(21)25-17)19-11-13-26(14-12-19)16-18-7-5-3-2-4-6-8-18/h9-10,15,18-19,25H,2-8,11-14,16H2,1H3
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4.18E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185799
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3
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4.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185813
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185808
PNG
(3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N3O/c1-2-5-21(6-3-1)29-22-10-8-19(9-11-22)18-28-15-12-20(13-16-28)24-17-27-25-23(24)7-4-14-26-25/h1-11,14,17,20H,12-13,15-16,18H2,(H,26,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185791
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
Show InChI InChI=1S/C26H21N3/c27-15-17-7-8-24-22(13-17)23(16-28-24)18-9-11-29(12-10-18)25-14-20-5-1-3-19-4-2-6-21(25)26(19)20/h1-9,13,16,25,28H,10-12,14H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185803
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3/c1-27-16-22(20-9-4-12-26-25(20)27)17-10-13-28(14-11-17)23-15-19-7-2-5-18-6-3-8-21(23)24(18)19/h2-9,12,16-17,23H,10-11,13-15H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185812
PNG
(2-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4...)
Show SMILES OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C26H27N3O/c30-15-14-29-17-23(21-8-3-11-27-26(21)29)18-9-12-28(13-10-18)24-16-20-6-1-4-19-5-2-7-22(24)25(19)20/h1-8,11,17-18,24,30H,9-10,12-16H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185790
PNG
(3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H27N3/c1-2-3-4-5-11-21-12-8-15(9-13-21)17-14-20-18-16(17)7-6-10-19-18/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,19,20)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185793
PNG
((4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)(...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
Show InChI InChI=1S/C23H33N3O/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-10-16(11-14-26)20-15-25-21-19(20)5-4-12-24-21/h4-5,12,15-18H,6-11,13-14H2,1-3H3,(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185808
PNG
(3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N3O/c1-2-5-21(6-3-1)29-22-10-8-19(9-11-22)18-28-15-12-20(13-16-28)24-17-27-25-23(24)7-4-14-26-25/h1-11,14,17,20H,12-13,15-16,18H2,(H,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185791
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
Show InChI InChI=1S/C26H21N3/c27-15-17-7-8-24-22(13-17)23(16-28-24)18-9-11-29(12-10-18)25-14-20-5-1-3-19-4-2-6-21(25)26(19)20/h1-9,13,16,25,28H,10-12,14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185801
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C27H27N3O2/c1-17(31)32-25-16-30(24-14-19-8-3-6-18-7-4-9-22(24)26(18)19)13-11-20(25)23-15-29(2)27-21(23)10-5-12-28-27/h3-10,12,15,20,24-25H,11,13-14,16H2,1-2H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185790
PNG
(3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H27N3/c1-2-3-4-5-11-21-12-8-15(9-13-21)17-14-20-18-16(17)7-6-10-19-18/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,19,20)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185798
PNG
(7-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C22H31ClN2/c23-21-10-6-9-19-20(15-24-22(19)21)18-11-13-25(14-12-18)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17-18,24H,1-5,7-8,11-14,16H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185789
PNG
((R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fl...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C27H42FN3O/c1-29(2)18-24(32)19-31-20-26(25-16-23(28)10-11-27(25)31)22-12-14-30(15-13-22)17-21-8-6-4-3-5-7-9-21/h10-11,16,20-22,24,32H,3-9,12-15,17-19H2,1-2H3/t24-/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185793
PNG
((4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)(...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
Show InChI InChI=1S/C23H33N3O/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-10-16(11-14-26)20-15-25-21-19(20)5-4-12-24-21/h4-5,12,15-18H,6-11,13-14H2,1-3H3,(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185792
PNG
(3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole | CH...)
Show SMILES Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H21ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16,22H,8-11,14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185795
PNG
(5-chloro-2-methyl-3-(1-(naphthalen-1-ylmethyl)pipe...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25ClN2/c1-17-25(23-15-21(26)9-10-24(23)27-17)19-11-13-28(14-12-19)16-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,15,19,27H,11-14,16H2,1H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185787
PNG
(3-(1-(cyclohexylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H27N3/c1-2-5-15(6-3-1)14-22-11-8-16(9-12-22)18-13-21-19-17(18)7-4-10-20-19/h4,7,10,13,15-16H,1-3,5-6,8-9,11-12,14H2,(H,20,21)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185804
PNG
(1-benzyl-6-chloro-3-(1-(1,2-dihydroacenaphthylen-1...)
Show SMILES Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C32H29ClN2/c33-26-12-13-27-29(21-35(31(27)19-26)20-22-6-2-1-3-7-22)23-14-16-34(17-15-23)30-18-25-10-4-8-24-9-5-11-28(30)32(24)25/h1-13,19,21,23,30H,14-18,20H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185813
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185805
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-23-21(14-19)22(15-27-23)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-20(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185801
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C27H27N3O2/c1-17(31)32-25-16-30(24-14-19-8-3-6-18-7-4-9-22(24)26(18)19)13-11-20(25)23-15-29(2)27-21(23)10-5-12-28-27/h3-10,12,15,20,24-25H,11,13-14,16H2,1-2H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185808
PNG
(3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N3O/c1-2-5-21(6-3-1)29-22-10-8-19(9-11-22)18-28-15-12-20(13-16-28)24-17-27-25-23(24)7-4-14-26-25/h1-11,14,17,20H,12-13,15-16,18H2,(H,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185804
PNG
(1-benzyl-6-chloro-3-(1-(1,2-dihydroacenaphthylen-1...)
Show SMILES Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C32H29ClN2/c33-26-12-13-27-29(21-35(31(27)19-26)20-22-6-2-1-3-7-22)23-14-16-34(17-15-23)30-18-25-10-4-8-24-9-5-11-28(30)32(24)25/h1-13,19,21,23,30H,14-18,20H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185791
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
Show InChI InChI=1S/C26H21N3/c27-15-17-7-8-24-22(13-17)23(16-28-24)18-9-11-29(12-10-18)25-14-20-5-1-3-19-4-2-6-21(25)26(19)20/h1-9,13,16,25,28H,10-12,14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185804
PNG
(1-benzyl-6-chloro-3-(1-(1,2-dihydroacenaphthylen-1...)
Show SMILES Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C32H29ClN2/c33-26-12-13-27-29(21-35(31(27)19-26)20-22-6-2-1-3-7-22)23-14-16-34(17-15-23)30-18-25-10-4-8-24-9-5-11-28(30)32(24)25/h1-13,19,21,23,30H,14-18,20H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185788
PNG
((2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperi...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
Show InChI InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185795
PNG
(5-chloro-2-methyl-3-(1-(naphthalen-1-ylmethyl)pipe...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25ClN2/c1-17-25(23-15-21(26)9-10-24(23)27-17)19-11-13-28(14-12-19)16-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,15,19,27H,11-14,16H2,1H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185797
PNG
(1-((R)-3-amino-2-hydroxypropyl)-3-(1-(1,2-dihydroa...)
Show SMILES NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Show InChI InChI=1S/C29H28N4O/c30-15-19-7-8-27-25(13-19)26(18-33(27)17-23(34)16-31)20-9-11-32(12-10-20)28-14-22-5-1-3-21-4-2-6-24(28)29(21)22/h1-9,13,18,23,28,34H,10-12,14,16-17,31H2/t23-,28?/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185786
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C25H21FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-9,14-15,24,27H,10-13H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185810
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
Show InChI InChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185788
PNG
((2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperi...)
Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
Show InChI InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185802
PNG
(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1H-pyr...)
Show SMILES C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3/c1-2-8-20-17(5-1)6-3-7-19(20)16-26-13-10-18(11-14-26)22-15-25-23-21(22)9-4-12-24-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185787
PNG
(3-(1-(cyclohexylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H27N3/c1-2-5-15(6-3-1)14-22-11-8-16(9-12-22)18-13-21-19-17(18)7-4-10-20-19/h4,7,10,13,15-16H,1-3,5-6,8-9,11-12,14H2,(H,20,21)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185786
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C25H21FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-9,14-15,24,27H,10-13H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185791
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
Show InChI InChI=1S/C26H21N3/c27-15-17-7-8-24-22(13-17)23(16-28-24)18-9-11-29(12-10-18)25-14-20-5-1-3-19-4-2-6-21(25)26(19)20/h1-9,13,16,25,28H,10-12,14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185790
PNG
(3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H27N3/c1-2-3-4-5-11-21-12-8-15(9-13-21)17-14-20-18-16(17)7-6-10-19-18/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,19,20)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185801
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C27H27N3O2/c1-17(31)32-25-16-30(24-14-19-8-3-6-18-7-4-9-22(24)26(18)19)13-11-20(25)23-15-29(2)27-21(23)10-5-12-28-27/h3-10,12,15,20,24-25H,11,13-14,16H2,1-2H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185806
PNG
(3-(1-(cyclooctylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H31N3/c1-2-4-7-17(8-5-3-1)16-24-13-10-18(11-14-24)20-15-23-21-19(20)9-6-12-22-21/h6,9,12,15,17-18H,1-5,7-8,10-11,13-14,16H2,(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185800
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185793
PNG
((4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)(...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
Show InChI InChI=1S/C23H33N3O/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-10-16(11-14-26)20-15-25-21-19(20)5-4-12-24-21/h4-5,12,15-18H,6-11,13-14H2,1-3H3,(H,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185787
PNG
(3-(1-(cyclohexylmethyl)piperidin-4-yl)-1H-pyrrolo[...)
Show SMILES C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H27N3/c1-2-5-15(6-3-1)14-22-11-8-16(9-12-22)18-13-21-19-17(18)7-4-10-20-19/h4,7,10,13,15-16H,1-3,5-6,8-9,11-12,14H2,(H,20,21)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185803
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3/c1-27-16-22(20-9-4-12-26-25(20)27)17-10-13-28(14-11-17)23-15-19-7-2-5-18-6-3-8-21(23)24(18)19/h2-9,12,16-17,23H,10-11,13-15H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185794
PNG
(5-fluoro-3-(1-(naphthalen-1-ylmethyl)piperidin-4-y...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H23FN2/c25-20-8-9-24-22(14-20)23(15-26-24)18-10-12-27(13-11-18)16-19-6-3-5-17-4-1-2-7-21(17)19/h1-9,14-15,18,26H,10-13,16H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185799
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185790
PNG
(3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H27N3/c1-2-3-4-5-11-21-12-8-15(9-13-21)17-14-20-18-16(17)7-6-10-19-18/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,19,20)
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185812
PNG
(2-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4...)
Show SMILES OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Show InChI InChI=1S/C26H27N3O/c30-15-14-29-17-23(21-8-3-11-27-26(21)29)18-9-12-28(13-10-18)24-16-20-6-1-4-19-5-2-7-22(24)25(19)20/h1-8,11,17-18,24,30H,9-10,12-16H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185793
PNG
((4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)(...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
Show InChI InChI=1S/C23H33N3O/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-10-16(11-14-26)20-15-25-21-19(20)5-4-12-24-21/h4-5,12,15-18H,6-11,13-14H2,1-3H3,(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185786
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C25H21FN2/c26-19-7-8-20-22(15-27-23(20)14-19)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-21(24)25(17)18/h1-9,14-15,24,27H,10-13H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185801
PNG
(1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...)
Show SMILES CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C27H27N3O2/c1-17(31)32-25-16-30(24-14-19-8-3-6-18-7-4-9-22(24)26(18)19)13-11-20(25)23-15-29(2)27-21(23)10-5-12-28-27/h3-10,12,15,20,24-25H,11,13-14,16H2,1-2H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185804
PNG
(1-benzyl-6-chloro-3-(1-(1,2-dihydroacenaphthylen-1...)
Show SMILES Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C32H29ClN2/c33-26-12-13-27-29(21-35(31(27)19-26)20-22-6-2-1-3-7-22)23-14-16-34(17-15-23)30-18-25-10-4-8-24-9-5-11-28(30)32(24)25/h1-13,19,21,23,30H,14-18,20H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185797
PNG
(1-((R)-3-amino-2-hydroxypropyl)-3-(1-(1,2-dihydroa...)
Show SMILES NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Show InChI InChI=1S/C29H28N4O/c30-15-19-7-8-27-25(13-19)26(18-33(27)17-23(34)16-31)20-9-11-32(12-10-20)28-14-22-5-1-3-21-4-2-6-24(28)29(21)22/h1-9,13,18,23,28,34H,10-12,14,16-17,31H2/t23-,28?/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185811
PNG
(7-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23ClN2/c26-22-9-3-7-19-21(15-27-25(19)22)16-10-12-28(13-11-16)23-14-18-6-1-4-17-5-2-8-20(23)24(17)18/h1-9,15-16,23,27H,10-14H2
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185811
PNG
(7-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H23ClN2/c26-22-9-3-7-19-21(15-27-25(19)22)16-10-12-28(13-11-16)23-14-18-6-1-4-17-5-2-8-20(23)24(17)18/h1-9,15-16,23,27H,10-14H2
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n/an/an/an/a>8.00E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185805
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Show InChI InChI=1S/C25H23FN2/c26-19-7-8-23-21(14-19)22(15-27-23)16-9-11-28(12-10-16)24-13-18-5-1-3-17-4-2-6-20(24)25(17)18/h1-8,14-16,24,27H,9-13H2
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n/an/an/an/a 2.72E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185796
PNG
(5-chloro-3-(1-(1,2-dihydroacenaphthylen-1-yl)piper...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C26H25ClN2/c1-16-25(22-15-20(27)8-9-23(22)28-16)18-10-12-29(13-11-18)24-14-19-6-2-4-17-5-3-7-21(24)26(17)19/h2-9,15,18,24,28H,10-14H2,1H3
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n/an/an/an/a 5.46E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185800
PNG
(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl...)
Show SMILES C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%