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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' AND taxid = 10141   
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


(Cavia porcellus)
BDBM50189257
PNG
(CHEMBL378753 | NalBzOH)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1
Show InChI InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20?,23-,25?,26?/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189252
PNG
(CHEMBL214040 | M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
Show InChI InChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189247
PNG
(CHEMBL1418 | M6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189258
PNG
(CHEMBL385448 | DM6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O
Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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7n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189251
PNG
(CHEMBL213228 | M3P6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C
Show InChI InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189256
PNG
(CHEMBL385048 | M3Pr6S)
Show SMILES CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C
Show InChI InChI=1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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27n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189249
PNG
(CHEMBL211576 | M3IBu6S)
Show SMILES CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C
Show InChI InChI=1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
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266n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189250
PNG
(CHEMBL379928 | MM3A6S)
Show SMILES CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C
Show InChI InChI=1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189259
PNG
(C6S | CHEMBL1417)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C
Show InChI InChI=1S/C18H21NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17H,7-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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455n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189260
PNG
(CHEMBL209751 | M3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1
Show InChI InChI=1S/C24H23NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-10,16-17,19,22H,11-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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513n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189245
PNG
(CHEMBL1416 | DC6S)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C
Show InChI InChI=1S/C18H23NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3,5,11-12,14,17H,4,6-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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760n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189253
PNG
(CHEMBL213737 | DM3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1
Show InChI InChI=1S/C24H25NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-7,9,16-17,19,22H,8,10-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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822n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189246
PNG
(CHEMBL437682 | DM3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
Show InChI InChI=1S/C19H23NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3,5,12-13,15,18H,4,6-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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838n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189254
PNG
(CHEMBL1415 | M3S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS([O-])(=O)=O
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-4-12(19)16(17)23-15-13(24-25(20,21)22)5-2-9(14(15)17)8-11(10)18/h2-5,10-12,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,12-,16-,17-/m0/s1
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PubMed
1.69E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189248
PNG
(CHEMBL211374 | MM3B6S)
Show SMILES C[N+]1(C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO7S/c1-26(2)13-12-25-17-9-11-20(33-34(28,29)30)23(25)32-22-19(10-8-16(21(22)25)14-18(17)26)31-24(27)15-6-4-3-5-7-15/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20-,23-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50411363
PNG
(CHEMBL269068 | UFP-111)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/a 46.8n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Albino guinea pig ileum assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50411362
PNG
(CHEMBL437744)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)C(CN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C84H142FN33O21/c1-44(67(126)108-54(22-14-34-100-81(94)95)71(130)109-51(19-8-11-31-86)70(129)112-55(23-15-35-101-82(96)97)72(131)110-52(20-9-12-32-87)73(132)113-58(39-62(92)122)76(135)107-50(66(93)125)29-30-61(91)121)105-78(137)60(43-119)115-74(133)53(21-10-13-33-88)111-75(134)56(24-16-36-102-83(98)99)116-80(139)84(3,4)118-64(124)42-104-79(138)65(45(2)120)117-77(136)57(38-47-25-27-48(85)28-26-47)106-63(123)41-103-69(128)59(40-89)114-68(127)49(90)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-60,65,119-120H,8-16,19-24,29-43,86-90H2,1-4H3,(H2,91,121)(H2,92,122)(H2,93,125)(H,103,128)(H,104,138)(H,105,137)(H,106,123)(H,107,135)(H,108,126)(H,109,130)(H,110,131)(H,111,134)(H,112,129)(H,113,132)(H,114,127)(H,115,133)(H,116,139)(H,117,136)(H,118,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59?,60-,65-/m0/s1
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n/an/an/a 0.316n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at NOP receptor in Albino guinea pig ileum assessed as effect on electrically stimulated contractions


Bioorg Med Chem 15: 4434-43 (2007)


Article DOI: 10.1016/j.bmc.2007.04.026
BindingDB Entry DOI: 10.7270/Q22R3SVP
More data for this
Ligand-Target Pair