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PubMed code 25556095

Compile data set for download or QSAR
Found 32 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))
BDBM50060848
PNG
(CHEMBL3394751)
Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/s2
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n/an/a 3.90n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060837
PNG
(CHEMBL3394744)
Show SMILES COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/s2
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n/an/a 4.20n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060843
PNG
(CHEMBL3394748)
Show SMILES O[C@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/s2
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n/an/a 8n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060893
PNG
(CHEMBL3394753)
Show SMILES COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/s2
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n/an/a 8.80n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060844
PNG
(CHEMBL3394749)
Show SMILES Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/s2
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n/an/a 14n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060903
PNG
(CHEMBL3394756)
Show SMILES CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1 |r|
Show InChI InChI=1/C38H56FN5O3/c1-28(2)35(40)36(46)42(24-31-13-11-29(3)12-14-31)25-34(45)26-43-27-44(33-17-15-32(39)16-18-33)38(37(43)47)19-21-41(22-20-38)23-30-9-7-5-4-6-8-10-30/h11-18,28,30,34-35,45H,4-10,19-27,40H2,1-3H3/t34-,35+/s2
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n/an/a 18n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060846
PNG
(CHEMBL3394750)
Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/s2
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n/an/a 26n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060836
PNG
(CHEMBL3394743)
Show SMILES COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/s2
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n/an/a 29n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060842
PNG
(CHEMBL3394747)
Show SMILES O[C@@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/s2
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n/an/a 29n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060904
PNG
(CHEMBL3394742)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/s2
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n/an/a 34n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060838
PNG
(CHEMBL3394745)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/s2
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n/an/a 36n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/s2
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n/an/a 37n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060863
PNG
(CHEMBL3394752)
Show SMILES CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C32H42N4O2S/c1-31(2,3)33-22-27(37)23-35-24-36(26-11-5-4-6-12-26)32(30(35)38)16-19-34(20-17-32)18-15-25-10-7-8-13-28(25)29-14-9-21-39-29/h4-14,21,27,33,37H,15-20,22-24H2,1-3H3/t27-/s2
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n/an/a 41n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060841
PNG
(CHEMBL3394746)
Show SMILES CCCCN(C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/s2
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n/an/a 47n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060863
PNG
(CHEMBL3394752)
Show SMILES CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C32H42N4O2S/c1-31(2,3)33-22-27(37)23-35-24-36(26-11-5-4-6-12-26)32(30(35)38)16-19-34(20-17-32)18-15-25-10-7-8-13-28(25)29-14-9-21-39-29/h4-14,21,27,33,37H,15-20,22-24H2,1-3H3/t27-/s2
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n/an/a 57n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060836
PNG
(CHEMBL3394743)
Show SMILES COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/s2
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n/an/a 61n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060844
PNG
(CHEMBL3394749)
Show SMILES Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/s2
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n/an/a 69n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060848
PNG
(CHEMBL3394751)
Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/s2
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n/an/a 79n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060843
PNG
(CHEMBL3394748)
Show SMILES O[C@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/s2
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n/an/a 80n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060902
PNG
(CHEMBL3394755)
Show SMILES COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C35H50FN3O5/c1-42-32-15-10-27(22-33(32)43-2)16-21-44-25-31(40)24-38-26-39(30-13-11-29(36)12-14-30)35(34(38)41)17-19-37(20-18-35)23-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,40H,3-9,16-21,23-26H2,1-2H3/t31-/s2
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n/an/a 82n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060838
PNG
(CHEMBL3394745)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/s2
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n/an/a 100n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060846
PNG
(CHEMBL3394750)
Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/t32-/s2
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n/an/a 103n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060837
PNG
(CHEMBL3394744)
Show SMILES COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
Show InChI InChI=1/C36H42N4O3S/c1-43-32-15-13-28(14-16-32)24-37-25-31(41)26-39-27-40(30-9-3-2-4-10-30)36(35(39)42)18-21-38(22-19-36)20-17-29-8-5-6-11-33(29)34-12-7-23-44-34/h2-16,23,31,37,41H,17-22,24-27H2,1H3/t31-/s2
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n/an/a 110n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060842
PNG
(CHEMBL3394747)
Show SMILES O[C@@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Show InChI InChI=1/C33H38N4O2S2/c38-28(22-34-23-29-11-6-20-40-29)24-36-25-37(27-9-2-1-3-10-27)33(32(36)39)15-18-35(19-16-33)17-14-26-8-4-5-12-30(26)31-13-7-21-41-31/h1-13,20-21,28,34,38H,14-19,22-25H2/t28-/s2
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n/an/a 160n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060841
PNG
(CHEMBL3394746)
Show SMILES CCCCN(C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/s2
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n/an/a 166n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50060893
PNG
(CHEMBL3394753)
Show SMILES COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/s2
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n/an/a 200n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50060904
PNG
(CHEMBL3394742)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/s2
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n/an/a 240n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/s2
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n/an/a 540n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060903
PNG
(CHEMBL3394756)
Show SMILES CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1 |r|
Show InChI InChI=1/C38H56FN5O3/c1-28(2)35(40)36(46)42(24-31-13-11-29(3)12-14-31)25-34(45)26-43-27-44(33-17-15-32(39)16-18-33)38(37(43)47)19-21-41(22-20-38)23-30-9-7-5-4-6-8-10-30/h11-18,28,30,34-35,45H,4-10,19-27,40H2,1-3H3/t34-,35+/s2
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n/an/a 820n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060893
PNG
(CHEMBL3394753)
Show SMILES COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/s2
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n/an/a 990n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060904
PNG
(CHEMBL3394742)
Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
Show InChI InChI=1/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/s2
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n/an/a 1.19E+3n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50060902
PNG
(CHEMBL3394755)
Show SMILES COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Show InChI InChI=1/C35H50FN3O5/c1-42-32-15-10-27(22-33(32)43-2)16-21-44-25-31(40)24-38-26-39(30-13-11-29(36)12-14-30)35(34(38)41)17-19-37(20-18-35)23-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,40H,3-9,16-21,23-26H2,1-2H3/t31-/s2
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n/an/a 2.60E+3n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%