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PubMed code 19339177

Compile data set for download or QSAR
Found 127 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))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259239
PNG
(1-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabic...)
Show SMILES CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H29Cl2N3O/c1-31-27(34)32-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)33(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H2,31,32,34)
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258878
PNG
(8-benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-o...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H27NO/c28-26(22-14-8-3-9-15-22)18-23-16-17-24(19-26)27(23)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259013
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259103
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
Show InChI InChI=1S/C25H29Cl2N3O/c1-16-7-10-20(22(27)13-16)23(19-5-2-3-6-21(19)26)30-17-8-9-18(30)15-25(31,14-17)24-28-11-4-12-29-24/h2-3,5-7,10,13,17-18,23,31H,4,8-9,11-12,14-15H2,1H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259193
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2NO2/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)30-19-14-15-20(30)17-27(16-19,26(31)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H,31,32)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259101
PNG
(3-(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)met...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15-6-9-19(22(27)12-15)23(18-4-2-3-5-21(18)26)29-16-7-8-17(29)14-25(31,13-16)20-10-11-28-24(20)30/h2-6,9,12,16-17,20,23,31H,7-8,10-11,13-14H2,1H3,(H,28,30)
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259238
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H26Cl2N2/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)30-19-14-15-20(30)17-26(29,16-19)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17,29H2
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259401
PNG
(8-(bis(2-chlorophenyl)methyl)-N-methyl-3-phenyl-8-...)
Show SMILES CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:2:4:11:7.8|
Show InChI InChI=1S/C28H28Cl2N2O/c1-31-27(33)28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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4.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259054
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259284
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-3-(1H-1,2,4...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(c1nnc[nH]1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C28H26Cl2N4/c29-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)30)34-20-14-15-21(34)17-28(16-20,27-31-18-32-33-27)19-8-2-1-3-9-19/h1-13,18,20-21,26H,14-17H2,(H,31,32,33)
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5.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259190
PNG
((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyc...)
Show SMILES OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)30-20-14-15-21(30)17-27(16-20,18-31)19-8-2-1-3-9-19/h1-13,20-21,26,31H,14-18H2
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259237
PNG
(CHEMBL467313 | methyl 8-(bis(2-chlorophenyl)methyl...)
Show SMILES COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-27(33)31-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259402
PNG
(8-(bis(2-chlorophenyl)methyl)-N-ethyl-3-phenyl-8-a...)
Show SMILES CCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:3:5:12:8.9|
Show InChI InChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259014
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl |TLB:8:7:15:11.12|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-7-10-22(24(29)13-17)26(21-5-3-4-6-23(21)28)31-19-8-9-20(31)16-27(32,15-19)25-14-18(2)11-12-30-25/h3-7,10-14,19-20,26,32H,8-9,15-16H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259104
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C24H29Cl2NO2/c1-16-7-10-20(22(26)13-16)23(19-5-2-3-6-21(19)25)27-17-8-9-18(27)15-24(29,14-17)11-4-12-28/h2-3,5-7,10,13,17-18,23,28-29H,4,8-9,11-12,14-15H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258879
PNG
(9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-o...)
Show SMILES OC1(CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:4.5.6:9,THB:23:1:4.5.6:9|
Show InChI InChI=1S/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2
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7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259147
PNG
(8-(bis(2-chlorophenyl)methyl)-3-methoxy-3-phenyl-8...)
Show SMILES COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c1-31-27(19-9-3-2-4-10-19)17-20-15-16-21(18-27)30(20)26(22-11-5-7-13-24(22)28)23-12-6-8-14-25(23)29/h2-14,20-21,26H,15-18H2,1H3
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259515
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-methoxyethyl)-3...)
Show SMILES COCCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
Show InChI InChI=1S/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35)
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8.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259403
PNG
(8-(bis(2-chlorophenyl)methyl)-N-isopropyl-3-phenyl...)
Show SMILES CC(C)NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:6:13:9.10|
Show InChI InChI=1S/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259516
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-hydroxypropyl)-...)
Show SMILES CC(O)CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
Show InChI InChI=1S/C30H32Cl2N2O2/c1-20(35)19-33-29(36)30(21-9-3-2-4-10-21)17-22-15-16-23(18-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,20,22-23,28,35H,15-19H2,1H3,(H,33,36)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259283
PNG
(CHEMBL466919 | N-(8-(bis(2-chlorophenyl)methyl)-3-...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C30H30Cl2N2O/c31-26-12-6-4-10-24(26)28(25-11-5-7-13-27(25)32)34-22-16-17-23(34)19-30(18-22,21-8-2-1-3-9-21)33-29(35)20-14-15-20/h1-13,20,22-23,28H,14-19H2,(H,33,35)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259055
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 |TLB:8:7:15:11.12|
Show InChI InChI=1S/C28H30Cl2N2O2/c1-18-7-12-24(26(30)13-18)27(23-5-3-4-6-25(23)29)32-20-9-10-21(32)16-28(33,15-20)14-19-8-11-22(34-2)17-31-19/h3-8,11-13,17,20-21,27,33H,9-10,14-16H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259102
PNG
(3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylp...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259285
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(CN=O)(C2)c1ccccc1)c1ccccc1Cl |THB:15:14:8:10.11|
Show InChI InChI=1S/C27H26Cl2N2O/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30-32)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259351
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:31:8:15:11.12|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-21-14-10-18(11-15-21)28(27(31)33)16-19-12-13-20(17-28)32(19)26(22-6-2-4-8-24(22)29)23-7-3-5-9-25(23)30/h2-11,14-15,19-20,26H,12-13,16-17H2,1H3,(H2,31,33)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259239
PNG
(1-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabic...)
Show SMILES CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H29Cl2N3O/c1-31-27(34)32-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)33(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H2,31,32,34)
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259349
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl3N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259350
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-bromophenyl)-8-...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Br)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25BrCl2N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259013
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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42n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259401
PNG
(8-(bis(2-chlorophenyl)methyl)-N-methyl-3-phenyl-8-...)
Show SMILES CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:2:4:11:7.8|
Show InChI InChI=1S/C28H28Cl2N2O/c1-31-27(33)28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259349
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl3N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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55n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259516
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-hydroxypropyl)-...)
Show SMILES CC(O)CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
Show InChI InChI=1S/C30H32Cl2N2O2/c1-20(35)19-33-29(36)30(21-9-3-2-4-10-21)17-22-15-16-23(18-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,20,22-23,28,35H,15-19H2,1H3,(H,33,36)
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57n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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57n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259351
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:31:8:15:11.12|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-21-14-10-18(11-15-21)28(27(31)33)16-19-12-13-20(17-28)32(19)26(22-6-2-4-8-24(22)29)23-7-3-5-9-25(23)30/h2-11,14-15,19-20,26H,12-13,16-17H2,1H3,(H2,31,33)
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59n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259515
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-methoxyethyl)-3...)
Show SMILES COCCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
Show InChI InChI=1S/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35)
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60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258878
PNG
(8-benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-o...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H27NO/c28-26(22-14-8-3-9-15-22)18-23-16-17-24(19-26)27(23)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2
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94n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259192
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(C#N)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C27H24Cl2N2/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-17H2
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259284
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-3-(1H-1,2,4...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(c1nnc[nH]1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C28H26Cl2N4/c29-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)30)34-20-14-15-21(34)17-28(16-20,27-31-18-32-33-27)19-8-2-1-3-9-19/h1-13,18,20-21,26H,14-17H2,(H,31,32,33)
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100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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104n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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109n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259193
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2NO2/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)30-19-14-15-20(30)17-27(16-19,26(31)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H,31,32)
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123n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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126n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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131n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259615
PNG
((3R,4S)-1-benzhydryl-3-methyl-4-phenylpiperidin-4-...)
Show SMILES C[C@@H]1CN(CC[C@@]1(O)c1ccccc1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO/c1-20-19-26(18-17-25(20,27)23-15-9-4-10-16-23)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,24,27H,17-19H2,1H3/t20-,25+/m1/s1
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142n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259402
PNG
(8-(bis(2-chlorophenyl)methyl)-N-ethyl-3-phenyl-8-a...)
Show SMILES CCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:3:5:12:8.9|
Show InChI InChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
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215n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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233n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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268n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259352
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-(trifluorometho...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C28H25Cl2F3N2O2/c29-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)35-18-11-12-19(35)16-27(15-18,26(34)36)17-9-13-20(14-10-17)37-28(31,32)33/h1-10,13-14,18-19,25H,11-12,15-16H2,(H2,34,36)
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285n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259104
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C24H29Cl2NO2/c1-16-7-10-20(22(26)13-16)23(19-5-2-3-6-21(19)25)27-17-8-9-18(27)15-24(29,14-17)11-4-12-28/h2-3,5-7,10,13,17-18,23,28-29H,4,8-9,11-12,14-15H2,1H3
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306n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259403
PNG
(8-(bis(2-chlorophenyl)methyl)-N-isopropyl-3-phenyl...)
Show SMILES CC(C)NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:6:13:9.10|
Show InChI InChI=1S/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35)
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333n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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364n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259055
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 |TLB:8:7:15:11.12|
Show InChI InChI=1S/C28H30Cl2N2O2/c1-18-7-12-24(26(30)13-18)27(23-5-3-4-6-25(23)29)32-20-9-10-21(32)16-28(33,15-20)14-19-8-11-22(34-2)17-31-19/h3-8,11-13,17,20-21,27,33H,9-10,14-16H2,1-2H3
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384n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259146
PNG
(3-(bis(2-chlorophenyl)methyl)-8-(4-methylpyridin-2...)
Show SMILES Cc1ccnc(c1)C1(O)C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl |TLB:5:7:14.15.13:10.11,THB:8:7:14.15.13:10.11,16:14:7:10.11|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-12-13-29-24(14-17)26(31)18-10-11-19(26)16-30(15-18)25(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-9,12-14,18-19,25,31H,10-11,15-16H2,1H3
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385n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259238
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H26Cl2N2/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)30-19-14-15-20(30)17-26(29,16-19)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17,29H2
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458n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
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470n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258879
PNG
(9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-o...)
Show SMILES OC1(CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:4.5.6:9,THB:23:1:4.5.6:9|
Show InChI InChI=1S/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2
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514n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259054
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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535n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259237
PNG
(CHEMBL467313 | methyl 8-(bis(2-chlorophenyl)methyl...)
Show SMILES COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-27(33)31-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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576n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259285
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(CN=O)(C2)c1ccccc1)c1ccccc1Cl |THB:15:14:8:10.11|
Show InChI InChI=1S/C27H26Cl2N2O/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30-32)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
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601n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259103
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
Show InChI InChI=1S/C25H29Cl2N3O/c1-16-7-10-20(22(27)13-16)23(19-5-2-3-6-21(19)26)30-17-8-9-18(30)15-25(31,14-17)24-28-11-4-12-29-24/h2-3,5-7,10,13,17-18,23,31H,4,8-9,11-12,14-15H2,1H3,(H,28,29)
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622n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259190
PNG
((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyc...)
Show SMILES OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)30-20-14-15-21(30)17-27(16-20,18-31)19-8-2-1-3-9-19/h1-13,20-21,26,31H,14-18H2
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627n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259147
PNG
(8-(bis(2-chlorophenyl)methyl)-3-methoxy-3-phenyl-8...)
Show SMILES COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c1-31-27(19-9-3-2-4-10-19)17-20-15-16-21(18-27)30(20)26(22-11-5-7-13-24(22)28)23-12-6-8-14-25(23)29/h2-14,20-21,26H,15-18H2,1H3
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636n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259400
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-carbamoylphenyl...)
Show SMILES NC(=O)c1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:32:9:16:12.13|
Show InChI InChI=1S/C28H27Cl2N3O2/c29-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)33-19-13-14-20(33)16-28(15-19,27(32)35)18-11-9-17(10-12-18)26(31)34/h1-12,19-20,25H,13-16H2,(H2,31,34)(H2,32,35)
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678n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259014
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl |TLB:8:7:15:11.12|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-7-10-22(24(29)13-17)26(21-5-3-4-6-23(21)28)31-19-8-9-20(31)16-27(32,15-19)25-14-18(2)11-12-30-25/h3-7,10-14,19-20,26,32H,8-9,15-16H2,1-2H3
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708n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259615
PNG
((3R,4S)-1-benzhydryl-3-methyl-4-phenylpiperidin-4-...)
Show SMILES C[C@@H]1CN(CC[C@@]1(O)c1ccccc1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO/c1-20-19-26(18-17-25(20,27)23-15-9-4-10-16-23)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,24,27H,17-19H2,1H3/t20-,25+/m1/s1
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738n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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752n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259101
PNG
(3-(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)met...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15-6-9-19(22(27)12-15)23(18-4-2-3-5-21(18)26)29-16-7-8-17(29)14-25(31,13-16)20-10-11-28-24(20)30/h2-6,9,12,16-17,20,23,31H,7-8,10-11,13-14H2,1H3,(H,28,30)
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781n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259614
PNG
(3-(bis(2-chlorophenyl)methyl)-8-(pyridin-3-yl)-3-a...)
Show SMILES OC1(C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:24:1:7.8.6:3.4,THB:0:1:7.8.6:3.4,9:7:1:3.4|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-15-18-11-12-19(16-29)25(18,30)17-6-5-13-28-14-17/h1-10,13-14,18-19,24,30H,11-12,15-16H2
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908n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259283
PNG
(CHEMBL466919 | N-(8-(bis(2-chlorophenyl)methyl)-3-...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C30H30Cl2N2O/c31-26-12-6-4-10-24(26)28(25-11-5-7-13-27(25)32)34-22-16-17-23(34)19-30(18-22,21-8-2-1-3-9-21)33-29(35)20-14-15-20/h1-13,20,22-23,28H,14-19H2,(H,33,35)
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996n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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1.04E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258920
PNG
(8-(bis(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]o...)
Show SMILES OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl |TLB:0:1:8:4.5|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)22)23-13-9-10-14(23)12-15(24)11-13/h1-8,13-15,20,24H,9-12H2
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1.09E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258920
PNG
(8-(bis(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]o...)
Show SMILES OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl |TLB:0:1:8:4.5|
Show InChI InChI=1S/C20H21Cl2NO/c21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)22)23-13-9-10-14(23)12-15(24)11-13/h1-8,13-15,20,24H,9-12H2
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1.09E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
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1.49E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259102
PNG
(3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylp...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
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1.55E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258877
PNG
((3S,4S)-1-benzhydryl-3-methyl-4-phenylpiperidin-4-...)
Show SMILES C[C@H]1CN(CC[C@@]1(O)c1ccccc1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO/c1-20-19-26(18-17-25(20,27)23-15-9-4-10-16-23)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,24,27H,17-19H2,1H3/t20-,25-/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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1.67E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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2.33E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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2.85E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
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3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
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3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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3.14E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259191
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(fluoromethyl)-3-p...)
Show SMILES FCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H26Cl2FN/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
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3.15E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259146
PNG
(3-(bis(2-chlorophenyl)methyl)-8-(4-methylpyridin-2...)
Show SMILES Cc1ccnc(c1)C1(O)C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl |TLB:5:7:14.15.13:10.11,THB:8:7:14.15.13:10.11,16:14:7:10.11|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-12-13-29-24(14-17)26(31)18-10-11-19(26)16-30(15-18)25(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-9,12-14,18-19,25,31H,10-11,15-16H2,1H3
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PubMed
3.59E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
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3.76E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
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3.76E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259614
PNG
(3-(bis(2-chlorophenyl)methyl)-8-(pyridin-3-yl)-3-a...)
Show SMILES OC1(C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:24:1:7.8.6:3.4,THB:0:1:7.8.6:3.4,9:7:1:3.4|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-15-18-11-12-19(16-29)25(18,30)17-6-5-13-28-14-17/h1-10,13-14,18-19,24,30H,11-12,15-16H2
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7.26E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) co-incubated with substrate


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) pre-incubated before addition of substrate


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259237
PNG
(CHEMBL467313 | methyl 8-(bis(2-chlorophenyl)methyl...)
Show SMILES COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-27(33)31-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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n/an/an/an/a 54n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/an/an/a 376n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259147
PNG
(8-(bis(2-chlorophenyl)methyl)-3-methoxy-3-phenyl-8...)
Show SMILES COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c1-31-27(19-9-3-2-4-10-19)17-20-15-16-21(18-27)30(20)26(22-11-5-7-13-24(22)28)23-12-6-8-14-25(23)29/h2-14,20-21,26H,15-18H2,1H3
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n/an/an/an/a 50n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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n/an/an/an/a 947n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259055
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 |TLB:8:7:15:11.12|
Show InChI InChI=1S/C28H30Cl2N2O2/c1-18-7-12-24(26(30)13-18)27(23-5-3-4-6-25(23)29)32-20-9-10-21(32)16-28(33,15-20)14-19-8-11-22(34-2)17-31-19/h3-8,11-13,17,20-21,27,33H,9-10,14-16H2,1-2H3
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n/an/an/an/a 90n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258878
PNG
(8-benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-o...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H27NO/c28-26(22-14-8-3-9-15-22)18-23-16-17-24(19-26)27(23)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2
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n/an/an/an/a 161n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259147
PNG
(8-(bis(2-chlorophenyl)methyl)-3-methoxy-3-phenyl-8...)
Show SMILES COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c1-31-27(19-9-3-2-4-10-19)17-20-15-16-21(18-27)30(20)26(22-11-5-7-13-24(22)28)23-12-6-8-14-25(23)29/h2-14,20-21,26H,15-18H2,1H3
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n/an/an/an/a 545n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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n/an/an/an/a 337n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259283
PNG
(CHEMBL466919 | N-(8-(bis(2-chlorophenyl)methyl)-3-...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Show InChI InChI=1S/C30H30Cl2N2O/c31-26-12-6-4-10-24(26)28(25-11-5-7-13-27(25)32)34-22-16-17-23(34)19-30(18-22,21-8-2-1-3-9-21)33-29(35)20-14-15-20/h1-13,20,22-23,28H,14-19H2,(H,33,35)
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n/an/an/an/a 35n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259101
PNG
(3-(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)met...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15-6-9-19(22(27)12-15)23(18-4-2-3-5-21(18)26)29-16-7-8-17(29)14-25(31,13-16)20-10-11-28-24(20)30/h2-6,9,12,16-17,20,23,31H,7-8,10-11,13-14H2,1H3,(H,28,30)
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n/an/an/an/a 48n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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n/an/an/an/a 14n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259054
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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n/an/an/an/a 50n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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n/an/an/an/a 894n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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n/an/an/an/a 709n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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n/an/an/an/a 693n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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n/an/an/an/a 12n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259285
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(CN=O)(C2)c1ccccc1)c1ccccc1Cl |THB:15:14:8:10.11|
Show InChI InChI=1S/C27H26Cl2N2O/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30-32)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
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n/an/an/an/a 107n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259054
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259190
PNG
((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyc...)
Show SMILES OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)30-20-14-15-21(30)17-27(16-20,18-31)19-8-2-1-3-9-19/h1-13,20-21,26,31H,14-18H2
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n/an/an/an/a 2.14E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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n/an/an/an/a 6n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259103
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
Show InChI InChI=1S/C25H29Cl2N3O/c1-16-7-10-20(22(27)13-16)23(19-5-2-3-6-21(19)26)30-17-8-9-18(30)15-25(31,14-17)24-28-11-4-12-29-24/h2-3,5-7,10,13,17-18,23,31H,4,8-9,11-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 62n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259190
PNG
((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyc...)
Show SMILES OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Show InChI InChI=1S/C27H27Cl2NO/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)30-20-14-15-21(30)17-27(16-20,18-31)19-8-2-1-3-9-19/h1-13,20-21,26,31H,14-18H2
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n/an/an/an/a 136n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259237
PNG
(CHEMBL467313 | methyl 8-(bis(2-chlorophenyl)methyl...)
Show SMILES COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H28Cl2N2O2/c1-34-27(33)31-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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n/an/an/an/a 782n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259238
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H26Cl2N2/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)30-19-14-15-20(30)17-26(29,16-19)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17,29H2
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n/an/an/an/a 4.53E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259238
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H26Cl2N2/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)30-19-14-15-20(30)17-26(29,16-19)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17,29H2
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n/an/an/an/a 76n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%