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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50043020   
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))
BDBM50147740
PNG
(1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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1.40n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147745
PNG
(1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wU:3.2,wD:6.9,(24.92,-3.48,;24.12,-2.15,;24.85,-.8,;22.58,-2.2,;21.84,-3.55,;20.3,-3.58,;19.5,-2.27,;20.23,-.92,;21.77,-.87,;17.97,-2.31,;17.15,-.99,;15.61,-1.03,;14.89,-2.39,;15.7,-3.71,;17.22,-3.66,;13.35,-2.43,;12.41,-1.22,;12.84,.26,;10.96,-1.73,;11.01,-3.27,;9.9,-4.34,;10.27,-5.84,;11.74,-6.26,;12.86,-5.2,;12.49,-3.69,)|
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19-
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4n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434649
PNG
(CHEMBL2387196)
Show SMILES CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Show InChI InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
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5.20n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434645
PNG
(CHEMBL2387194)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)C(C)c2ccccc12 |r,wU:6.9,3.2,(5.8,-45.06,;6.83,-43.93,;8.33,-44.25,;6.36,-42.46,;4.85,-42.14,;4.38,-40.67,;5.4,-39.52,;6.92,-39.84,;7.4,-41.32,;4.93,-38.06,;3.43,-37.73,;2.96,-36.27,;3.99,-35.13,;5.49,-35.45,;5.96,-36.92,;3.51,-33.67,;4.42,-32.42,;5.96,-32.41,;3.51,-31.16,;3.99,-29.7,;2.04,-31.64,;.71,-30.88,;-.63,-31.65,;-.62,-33.19,;.71,-33.96,;2.04,-33.19,)|
Show InChI InChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3/t17?,18-,19+
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6.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147743
PNG
(1-(1-Bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-1,3-di...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Show InChI InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
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7.5n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434640
PNG
(CHEMBL2387188)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
Show InChI InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3/t17-,19+
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7.60n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434648
PNG
(CHEMBL2387197)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3
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8.70n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434644
PNG
(CHEMBL2387191)
Show SMILES CC(C1CCCCC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3
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10n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434646
PNG
(CHEMBL2387193)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CC[C@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24?/m1/s1
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11n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434647
PNG
(CHEMBL2387195)
Show SMILES CC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3
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13n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434643
PNG
(CHEMBL2387189)
Show SMILES CCC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:8.11,5.4,(49.69,-11.33,;51.19,-11.65,;52.21,-10.51,;53.69,-10.11,;53.3,-11.59,;51.75,-9.05,;52.79,-7.91,;52.31,-6.43,;50.8,-6.12,;49.77,-7.26,;50.24,-8.72,;50.32,-4.65,;48.82,-4.32,;48.35,-2.87,;49.39,-1.73,;50.89,-2.04,;51.36,-3.51,;48.91,-.26,;49.82,1.01,;51.35,1.01,;48.91,2.25,;47.44,1.77,;46.1,2.54,;44.78,1.78,;44.78,.23,;46.11,-.55,;47.44,.23,)|
Show InChI InChI=1S/C24H36N2O/c1-4-24(2,3)19-9-11-20(12-10-19)25-15-13-21(14-16-25)26-22-8-6-5-7-18(22)17-23(26)27/h5-8,19-21H,4,9-17H2,1-3H3/t19-,20+
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15n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434641
PNG
(CHEMBL2387199)
Show SMILES O=C1CCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C22H32N2O/c25-22-13-12-18-8-6-7-11-21(18)24(22)20-14-16-23(17-15-20)19-9-4-2-1-3-5-10-19/h6-8,11,19-20H,1-5,9-10,12-17H2
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19n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434639
PNG
(CHEMBL2387198)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1C(=O)CCc2ccccc12 |(47.58,-45.91,;48.91,-45.15,;50.24,-45.93,;48.93,-43.61,;47.6,-42.83,;47.61,-41.3,;48.95,-40.54,;50.28,-41.31,;50.27,-42.85,;48.95,-39,;47.62,-38.23,;47.63,-36.69,;48.96,-35.93,;50.29,-36.69,;50.29,-38.24,;48.96,-34.39,;50.3,-33.62,;51.64,-34.39,;50.3,-32.07,;48.95,-31.29,;47.62,-32.07,;46.29,-31.31,;44.96,-32.08,;44.96,-33.62,;46.29,-34.39,;47.62,-33.62,)|
Show InChI InChI=1S/C23H34N2O/c1-17(2)18-7-10-20(11-8-18)24-15-13-21(14-16-24)25-22-6-4-3-5-19(22)9-12-23(25)26/h3-6,17-18,20-21H,7-16H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434638
PNG
(CHEMBL2387192)
Show SMILES CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H24N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h2-10,16,19H,11-15H2,1H3
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27n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434642
PNG
(CHEMBL2387200)
Show SMILES CC1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O/c1-18-17-23(26)25(22-12-8-7-11-21(18)22)20-13-15-24(16-14-20)19-9-5-3-2-4-6-10-19/h7-8,11-12,18-20H,2-6,9-10,13-17H2,1H3
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40n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147746
PNG
(1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2
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201n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434637
PNG
(CHEMBL2387190)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C20H28N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2
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213n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147743
PNG
(1-(1-Bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-1,3-di...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
Show InChI InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
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n/an/an/an/a 29n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434647
PNG
(CHEMBL2387195)
Show SMILES CC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434646
PNG
(CHEMBL2387193)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CC[C@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24?/m1/s1
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n/an/an/an/a 46n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434645
PNG
(CHEMBL2387194)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)C(C)c2ccccc12 |r,wU:6.9,3.2,(5.8,-45.06,;6.83,-43.93,;8.33,-44.25,;6.36,-42.46,;4.85,-42.14,;4.38,-40.67,;5.4,-39.52,;6.92,-39.84,;7.4,-41.32,;4.93,-38.06,;3.43,-37.73,;2.96,-36.27,;3.99,-35.13,;5.49,-35.45,;5.96,-36.92,;3.51,-33.67,;4.42,-32.42,;5.96,-32.41,;3.51,-31.16,;3.99,-29.7,;2.04,-31.64,;.71,-30.88,;-.63,-31.65,;-.62,-33.19,;.71,-33.96,;2.04,-33.19,)|
Show InChI InChI=1S/C23H34N2O/c1-16(2)18-8-10-19(11-9-18)24-14-12-20(13-15-24)25-22-7-5-4-6-21(22)17(3)23(25)26/h4-7,16-20H,8-15H2,1-3H3/t17?,18-,19+
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n/an/an/an/a 55n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434644
PNG
(CHEMBL2387191)
Show SMILES CC(C1CCCCC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1S/C21H30N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h5-6,9-10,16-17,19H,2-4,7-8,11-15H2,1H3
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n/an/an/an/a 82n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434643
PNG
(CHEMBL2387189)
Show SMILES CCC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:8.11,5.4,(49.69,-11.33,;51.19,-11.65,;52.21,-10.51,;53.69,-10.11,;53.3,-11.59,;51.75,-9.05,;52.79,-7.91,;52.31,-6.43,;50.8,-6.12,;49.77,-7.26,;50.24,-8.72,;50.32,-4.65,;48.82,-4.32,;48.35,-2.87,;49.39,-1.73,;50.89,-2.04,;51.36,-3.51,;48.91,-.26,;49.82,1.01,;51.35,1.01,;48.91,2.25,;47.44,1.77,;46.1,2.54,;44.78,1.78,;44.78,.23,;46.11,-.55,;47.44,.23,)|
Show InChI InChI=1S/C24H36N2O/c1-4-24(2,3)19-9-11-20(12-10-19)25-15-13-21(14-16-25)26-22-8-6-5-7-18(22)17-23(26)27/h5-8,19-21H,4,9-17H2,1-3H3/t19-,20+
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n/an/an/an/a 83n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434642
PNG
(CHEMBL2387200)
Show SMILES CC1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O/c1-18-17-23(26)25(22-12-8-7-11-21(18)22)20-13-15-24(16-14-20)19-9-5-3-2-4-6-10-19/h7-8,11-12,18-20H,2-6,9-10,13-17H2,1H3
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n/an/an/an/a 95n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434641
PNG
(CHEMBL2387199)
Show SMILES O=C1CCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C22H32N2O/c25-22-13-12-18-8-6-7-11-21(18)24(22)20-14-16-23(17-15-20)19-9-4-2-1-3-5-10-19/h6-8,11,19-20H,1-5,9-10,12-17H2
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n/an/an/an/a 101n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434649
PNG
(CHEMBL2387196)
Show SMILES CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Show InChI InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
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n/an/an/an/a 8.5n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434640
PNG
(CHEMBL2387188)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
Show InChI InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3/t17-,19+
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n/an/an/an/a 107n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434639
PNG
(CHEMBL2387198)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1C(=O)CCc2ccccc12 |(47.58,-45.91,;48.91,-45.15,;50.24,-45.93,;48.93,-43.61,;47.6,-42.83,;47.61,-41.3,;48.95,-40.54,;50.28,-41.31,;50.27,-42.85,;48.95,-39,;47.62,-38.23,;47.63,-36.69,;48.96,-35.93,;50.29,-36.69,;50.29,-38.24,;48.96,-34.39,;50.3,-33.62,;51.64,-34.39,;50.3,-32.07,;48.95,-31.29,;47.62,-32.07,;46.29,-31.31,;44.96,-32.08,;44.96,-33.62,;46.29,-34.39,;47.62,-33.62,)|
Show InChI InChI=1S/C23H34N2O/c1-17(2)18-7-10-20(11-8-18)24-15-13-21(14-16-24)25-22-6-4-3-5-19(22)9-12-23(25)26/h3-6,17-18,20-21H,7-16H2,1-2H3
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n/an/an/an/a 127n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434648
PNG
(CHEMBL2387197)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3
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n/an/an/an/a 6.80n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434638
PNG
(CHEMBL2387192)
Show SMILES CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H24N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h2-10,16,19H,11-15H2,1H3
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n/an/an/an/a 138n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147746
PNG
(1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2
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n/an/an/an/a 174n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147745
PNG
(1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wU:3.2,wD:6.9,(24.92,-3.48,;24.12,-2.15,;24.85,-.8,;22.58,-2.2,;21.84,-3.55,;20.3,-3.58,;19.5,-2.27,;20.23,-.92,;21.77,-.87,;17.97,-2.31,;17.15,-.99,;15.61,-1.03,;14.89,-2.39,;15.7,-3.71,;17.22,-3.66,;13.35,-2.43,;12.41,-1.22,;12.84,.26,;10.96,-1.73,;11.01,-3.27,;9.9,-4.34,;10.27,-5.84,;11.74,-6.26,;12.86,-5.2,;12.49,-3.69,)|
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19-
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n/an/an/an/a 27n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147740
PNG
(1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair