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PubMed code 15454210

Compile data set for download or QSAR
Found 36 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153608
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30F3NO3/c1-36-26(34)28(22-9-4-2-5-10-22,23-11-6-3-7-12-23)17-20-33-18-15-27(35,16-19-33)24-13-8-14-25(21-24)29(30,31)32/h2-14,21,35H,15-20H2,1H3
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PubMed
0.110n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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0.110n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153614
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3
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0.160n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153611
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30ClNO3/c1-33-26(31)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-30-19-16-27(32,17-20-30)22-12-14-25(29)15-13-22/h2-15,32H,16-21H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153613
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29ClF3NO3/c1-37-26(35)28(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-19-34-17-14-27(36,15-18-34)23-12-13-25(30)24(20-23)29(31,32)33/h2-13,20,36H,14-19H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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0.530n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132647
PNG
(1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
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1n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132662
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen...)
Show SMILES OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3NO/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
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2.5n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132644
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H27ClF3NO/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
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4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153615
PNG
(4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperi...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClNO/c27-24-13-11-23(12-14-24)26(29)16-19-28(20-17-26)18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2
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37n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153608
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30F3NO3/c1-36-26(34)28(22-9-4-2-5-10-22,23-11-6-3-7-12-23)17-20-33-18-15-27(35,16-19-33)24-13-8-14-25(21-24)29(30,31)32/h2-14,21,35H,15-20H2,1H3
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78n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132651
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluo...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6NO/c21-17-6-5-15(11-16(17)20(25,26)27)18(29)7-9-28(10-8-18)12-13-1-3-14(4-2-13)19(22,23)24/h1-6,11,29H,7-10,12H2
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104n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132647
PNG
(1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-pheny...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
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116n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153613
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29ClF3NO3/c1-37-26(35)28(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-19-34-17-14-27(36,15-18-34)23-12-13-25(30)24(20-23)29(31,32)33/h2-13,20,36H,14-19H2,1H3
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149n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132644
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H27ClF3NO/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
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225n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153610
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28F3NO3/c29-28(30,31)24-13-7-12-23(20-24)26(35)14-17-32(18-15-26)19-16-27(25(33)34,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,35H,14-19H2,(H,33,34)
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331n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153615
PNG
(4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperi...)
Show SMILES OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClNO/c27-24-13-11-23(12-14-24)26(29)16-19-28(20-17-26)18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2
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372n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153616
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27ClF3NO3/c29-24-12-11-22(19-23(24)28(30,31)32)26(36)13-16-33(17-14-26)18-15-27(25(34)35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,36H,13-18H2,(H,34,35)
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489n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153614
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33F3N2O2/c1-34(2)27(36)29(23-10-5-3-6-11-23,24-12-7-4-8-13-24)18-21-35-19-16-28(37,17-20-35)25-14-9-15-26(22-25)30(31,32)33/h3-15,22,37H,16-21H2,1-2H3
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505n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153611
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30ClNO3/c1-33-26(31)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-30-19-16-27(32,17-20-30)22-12-14-25(29)15-13-22/h2-15,32H,16-21H2,1H3
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590n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132662
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen...)
Show SMILES OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3NO/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
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879n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132651
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluo...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6NO/c21-17-6-5-15(11-16(17)20(25,26)27)18(29)7-9-28(10-8-18)12-13-1-3-14(4-2-13)19(22,23)24/h1-6,11,29H,7-10,12H2
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1.19E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153617
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28ClNO3/c28-24-13-11-21(12-14-24)26(32)15-18-29(19-16-26)20-17-27(25(30)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,32H,15-20H2,(H,30,31)
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1.46E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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2.15E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153618
PNG
(1-(3,3-Diphenyl-propyl)-1-oxy-4-(3-trifluoromethyl...)
Show SMILES OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F |(-.85,3.59,;.47,2.82,;1.8,2.05,;1.8,.51,;.47,-.24,;1.8,-1.01,;-.32,-1.57,;-1.86,-1.55,;-2.63,-2.88,;-1.87,-4.22,;-2.67,-5.53,;-1.93,-6.88,;-.37,-6.9,;.4,-5.56,;-.34,-4.22,;-4.17,-2.85,;-4.93,-1.52,;-6.45,-1.49,;-7.24,-2.82,;-6.5,-4.17,;-4.96,-4.17,;-.85,.51,;-.85,2.05,;1.57,3.92,;1.15,5.41,;2.24,6.5,;3.74,6.15,;4.13,4.63,;3.06,3.54,;5.65,4.24,;6.93,5.2,;7,3.89,;6.3,2.79,)|
Show InChI InChI=1S/C27H28F3NO2/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(33,19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
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8.13E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153616
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27ClF3NO3/c29-24-12-11-22(19-23(24)28(30,31)32)26(36)13-16-33(17-14-26)18-15-27(25(34)35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,36H,13-18H2,(H,34,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153612
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen...)
Show SMILES OC1(CC[N+]([O-])(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-1.02,2.26,;.31,1.49,;-1.02,.72,;-1.02,-.82,;.31,-1.59,;1.64,-2.36,;-.48,-2.92,;-2.02,-2.89,;-2.77,-1.55,;-4.31,-1.52,;-5.08,-2.85,;-6.62,-2.85,;-7.41,-4.18,;-6.64,-5.51,;-5.1,-5.53,;-4.33,-4.21,;-2.79,-4.21,;1.64,-.82,;1.64,.72,;1.41,2.58,;.99,4.08,;2.06,5.17,;3.58,4.8,;4.65,5.9,;3.97,3.29,;2.9,2.19,;5.49,2.91,;6.77,3.87,;6.84,2.56,;6.14,1.45,)|
Show InChI InChI=1S/C23H21ClF3NO2/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(30,12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132653
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF3N2O/c21-18-6-5-16(11-17(18)20(22,23)24)19(27)7-9-26(10-8-19)13-15-3-1-14(12-25)2-4-15/h1-6,11,27H,7-10,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153609
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-.99,3.38,;.33,2.61,;-.99,1.83,;-.99,.3,;.33,-.45,;1.66,-1.22,;-.44,-1.78,;-1.98,-1.76,;-2.77,-3.09,;-4.31,-3.06,;-5.08,-4.38,;-6.64,-4.38,;-7.39,-3.03,;-6.59,-1.71,;-5.06,-1.73,;-2.02,-4.44,;-2.81,-5.75,;-2.05,-7.09,;-.51,-7.12,;.26,-5.78,;-.48,-4.44,;1.68,.3,;1.66,1.83,;1.43,3.7,;1.01,5.19,;2.08,6.3,;3.6,5.92,;4.67,7.04,;4.01,4.41,;2.92,3.33,;5.51,4.03,;6.86,3.68,;6.18,2.58,;6.79,4.99,)|
Show InChI InChI=1S/C27H27ClF3NO2/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(34,18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153618
PNG
(1-(3,3-Diphenyl-propyl)-1-oxy-4-(3-trifluoromethyl...)
Show SMILES OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F |(-.85,3.59,;.47,2.82,;1.8,2.05,;1.8,.51,;.47,-.24,;1.8,-1.01,;-.32,-1.57,;-1.86,-1.55,;-2.63,-2.88,;-1.87,-4.22,;-2.67,-5.53,;-1.93,-6.88,;-.37,-6.9,;.4,-5.56,;-.34,-4.22,;-4.17,-2.85,;-4.93,-1.52,;-6.45,-1.49,;-7.24,-2.82,;-6.5,-4.17,;-4.96,-4.17,;-.85,.51,;-.85,2.05,;1.57,3.92,;1.15,5.41,;2.24,6.5,;3.74,6.15,;4.13,4.63,;3.06,3.54,;5.65,4.24,;6.93,5.2,;7,3.89,;6.3,2.79,)|
Show InChI InChI=1S/C27H28F3NO2/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(33,19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153612
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen...)
Show SMILES OC1(CC[N+]([O-])(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-1.02,2.26,;.31,1.49,;-1.02,.72,;-1.02,-.82,;.31,-1.59,;1.64,-2.36,;-.48,-2.92,;-2.02,-2.89,;-2.77,-1.55,;-4.31,-1.52,;-5.08,-2.85,;-6.62,-2.85,;-7.41,-4.18,;-6.64,-5.51,;-5.1,-5.53,;-4.33,-4.21,;-2.79,-4.21,;1.64,-.82,;1.64,.72,;1.41,2.58,;.99,4.08,;2.06,5.17,;3.58,4.8,;4.65,5.9,;3.97,3.29,;2.9,2.19,;5.49,2.91,;6.77,3.87,;6.84,2.56,;6.14,1.45,)|
Show InChI InChI=1S/C23H21ClF3NO2/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(30,12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153617
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28ClNO3/c28-24-13-11-21(12-14-24)26(32)15-18-29(19-16-26)20-17-27(25(30)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,32H,15-20H2,(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153609
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphe...)
Show SMILES OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-.99,3.38,;.33,2.61,;-.99,1.83,;-.99,.3,;.33,-.45,;1.66,-1.22,;-.44,-1.78,;-1.98,-1.76,;-2.77,-3.09,;-4.31,-3.06,;-5.08,-4.38,;-6.64,-4.38,;-7.39,-3.03,;-6.59,-1.71,;-5.06,-1.73,;-2.02,-4.44,;-2.81,-5.75,;-2.05,-7.09,;-.51,-7.12,;.26,-5.78,;-.48,-4.44,;1.68,.3,;1.66,1.83,;1.43,3.7,;1.01,5.19,;2.08,6.3,;3.6,5.92,;4.67,7.04,;4.01,4.41,;2.92,3.33,;5.51,4.03,;6.86,3.68,;6.18,2.58,;6.79,4.99,)|
Show InChI InChI=1S/C27H27ClF3NO2/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(34,18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132653
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF3N2O/c21-18-6-5-16(11-17(18)20(22,23)24)19(27)7-9-26(10-8-19)13-15-3-1-14(12-25)2-4-15/h1-6,11,27H,7-10,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50153610
PNG
(4-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidi...)
Show SMILES OC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28F3NO3/c29-28(30,31)24-13-7-12-23(20-24)26(35)14-17-32(18-15-26)19-16-27(25(33)34,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,35H,14-19H2,(H,33,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%