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PubMed code 19332374

Compile data set for download or QSAR
Found 84 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))
BDBM50259579
PNG
(CHEMBL3084559 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)28)31-18-11-12-19(31)15-26(14-18,25(29)32)17-6-5-13-30-16-17/h1-10,13,16,18-19,24H,11-12,14-15H2,(H2,29,32)/t18-,19-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259549
PNG
(CHEMBL3084555 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H29Cl2FN2O/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)34-21-13-14-22(34)17-29(16-21,18-27(33)35)15-19-9-11-20(32)12-10-19/h1-12,21-22,28H,13-18H2,(H2,33,35)/t21-,22-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259100
PNG
(CHEMBL3084528 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-11,14,17-18,24H,12-13,15-16H2,(H2,29,32)/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259397
PNG
(CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259145
PNG
(CHEMBL3084532 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-17-10-13-24(31-16-17)27(26(30)33)14-18-11-12-19(15-27)32(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H2,30,33)/t18-,19-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259396
PNG
(CHEMBL3084548 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2|
Show InChI InChI=1S/C25H24Cl2FN3/c26-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)27)31-17-10-11-18(31)14-25(29,13-17)23-12-9-16(28)15-30-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259345
PNG
(CHEMBL3084544 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-19-7-3-1-5-17(19)24(18-6-2-4-8-20(18)28)33-15-9-10-16(33)13-26(12-15,25(31)34)23-11-21(29)22(30)14-32-23/h1-8,11,14-16,24H,9-10,12-13H2,(H2,31,34)/t15-,16-/m1/s1
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9n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259514
PNG
(CHEMBL3084554 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
Show InChI InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259279
PNG
(CHEMBL3084540 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-20-8-3-1-6-18(20)24(19-7-2-4-9-21(19)28)32-16-12-13-17(32)15-26(14-16,25(30)33)22-10-5-11-23(29)31-22/h1-11,16-17,24H,12-15H2,(H2,30,33)/t16-,17-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259348
PNG
(CHEMBL3084547 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:16:3.2|
Show InChI InChI=1S/C25H25Cl2N3/c26-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)27)30-17-12-13-18(30)16-25(28,15-17)23-11-5-6-14-29-23/h1-11,14,17-18,24H,12-13,15-16,28H2/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259398
PNG
(CHEMBL3084550 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H26Cl2FN3O/c1-17(34)32-27(25-13-10-18(30)16-31-25)14-19-11-12-20(15-27)33(19)26(21-6-2-4-8-23(21)28)22-7-3-5-9-24(22)29/h2-10,13,16,19-20,26H,11-12,14-15H2,1H3,(H,32,34)/t19-,20-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259511
PNG
(CHEMBL511232 | endo-methyl 8-(bis(2-chlorophenyl)m...)
Show SMILES COC(=O)NC1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cn1 |r,TLB:4:5:12:8.9|
Show InChI InChI=1S/C27H26Cl2FN3O2/c1-35-26(34)32-27(24-13-10-17(30)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19-/m1/s1
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12n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259512
PNG
(CHEMBL3084552 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H26Cl3N3O2/c1-35-26(34)32-27(24-13-10-17(28)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)29)21-7-3-5-9-23(21)30/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19-/m1/s1
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12n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259581
PNG
(CHEMBL3084561 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)nc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-23-12-9-16(15-31-23)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259143
PNG
(CHEMBL3084530 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl3N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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15n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259280
PNG
(CHEMBL3084541 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)cc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-20-7-3-1-5-18(20)24(19-6-2-4-8-21(19)28)33-16-9-10-17(33)14-26(13-16,25(31)34)22-11-15(29)12-23(30)32-22/h1-8,11-12,16-17,24H,9-10,13-14H2,(H2,31,34)/t16-,17-/m1/s1
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15n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259281
PNG
(CHEMBL3084542 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1nc(F)ccc1F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-19-7-3-1-5-17(19)23(18-6-2-4-8-20(18)28)33-15-9-10-16(33)14-26(13-15,25(31)34)24-21(29)11-12-22(30)32-24/h1-8,11-12,15-16,23H,9-10,13-14H2,(H2,31,34)/t15-,16-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259582
PNG
(CHEMBL512962 | endo-8-(bis(2-chlorophenyl)methyl)-...)
Show SMILES NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
Show InChI InChI=1S/C26H31Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-4,7-10,17-18,23-24,30H,5-6,11-16H2,(H2,29,32)/t17-,18-,23?/m1/s1
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17n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259550
PNG
(CHEMBL3084556 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(O)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H30Cl2N2O2/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)33-20-11-12-21(33)17-29(16-20,18-27(32)35)15-19-9-13-22(34)14-10-19/h1-10,13-14,20-21,28,34H,11-12,15-18H2,(H2,32,35)/t20-,21-/m1/s1
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17n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259346
PNG
(CHEMBL3084545 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(CF)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H25Cl2F2N3O/c28-21-7-3-1-5-19(21)25(20-6-2-4-8-22(20)29)34-17-9-10-18(34)13-27(12-17,26(32)35)24-11-16(14-30)23(31)15-33-24/h1-8,11,15,17-18,25H,9-10,12-14H2,(H2,32,35)/t17-,18-/m1/s1
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19n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259099
PNG
(CHEMBL3084527 | endo-N-((8-(bis(2-chlorophenyl)met...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2|
Show InChI InChI=1S/C29H30Cl2N2O/c1-20(34)32-19-29(21-9-3-2-4-10-21)17-22-15-16-23(18-29)33(22)28(24-11-5-7-13-26(24)30)25-12-6-8-14-27(25)31/h2-14,22-23,28H,15-19H2,1H3,(H,32,34)/t22-,23-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259186
PNG
(CHEMBL3084533 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(OC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-19-12-13-24(31-16-19)27(26(30)33)14-17-10-11-18(15-27)32(17)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-9,12-13,16-18,25H,10-11,14-15H2,1H3,(H2,30,33)/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259145
PNG
(CHEMBL3084532 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-17-10-13-24(31-16-17)27(26(30)33)14-18-11-12-19(15-27)32(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H2,30,33)/t18-,19-/m1/s1
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26n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259144
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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29n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259187
PNG
(CHEMBL3084534 | endo-3-(5-aminopyridin-2-yl)-8-(bi...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(N)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H26Cl2N4O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2,(H2,30,33)/t17-,18-/m1/s1
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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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259551
PNG
(CHEMBL3084557 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](N)(Cc3ccc(Cl)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:18:3.2|
Show InChI InChI=1S/C27H27Cl3N2/c28-19-11-9-18(10-12-19)15-27(31)16-20-13-14-21(17-27)32(20)26(22-5-1-3-7-24(22)29)23-6-2-4-8-25(23)30/h1-12,20-21,26H,13-17,31H2/t20-,21-/m1/s1
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36n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259513
PNG
(CHEMBL3084553 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(N(C)C)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C27H29Cl2N3/c1-31(2)27(25-13-7-8-16-30-25)17-19-14-15-20(18-27)32(19)26(21-9-3-5-11-23(21)28)22-10-4-6-12-24(22)29/h3-13,16,19-20,26H,14-15,17-18H2,1-2H3/t19-,20-/m1/s1
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42n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259581
PNG
(CHEMBL3084561 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)nc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-23-12-9-16(15-31-23)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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46n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259282
PNG
(CHEMBL3084543 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ncc(F)cc1F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-20-7-3-1-5-18(20)23(19-6-2-4-8-21(19)28)33-16-9-10-17(33)13-26(12-16,25(31)34)24-22(30)11-15(29)14-32-24/h1-8,11,14,16-17,23H,9-10,12-13H2,(H2,31,34)/t16-,17-/m1/s1
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47n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259100
PNG
(CHEMBL3084528 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-11,14,17-18,24H,12-13,15-16H2,(H2,29,32)/t17-,18-/m1/s1
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52n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259552
PNG
(CHEMBL3084558 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)NC(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:22:3.2|
Show InChI InChI=1S/C29H29Cl3N2O2/c1-36-28(35)33-29(16-19-10-12-20(30)13-11-19)17-21-14-15-22(18-29)34(21)27(23-6-2-4-8-25(23)31)24-7-3-5-9-26(24)32/h2-13,21-22,27H,14-18H2,1H3,(H,33,35)/t21-,22-/m1/s1
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56n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259579
PNG
(CHEMBL3084559 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)28)31-18-11-12-19(31)15-26(14-18,25(29)32)17-6-5-13-30-16-17/h1-10,13,16,18-19,24H,11-12,14-15H2,(H2,29,32)/t18-,19-/m1/s1
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71n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259188
PNG
(CHEMBL3084535 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H25Cl2N3O2/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)31-16-9-10-17(31)14-26(13-16,25(29)33)23-12-11-18(32)15-30-23/h1-8,11-12,15-17,24,32H,9-10,13-14H2,(H2,29,33)/t16-,17-/m1/s1
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72n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259345
PNG
(CHEMBL3084544 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-19-7-3-1-5-17(19)24(18-6-2-4-8-20(18)28)33-15-9-10-16(33)13-26(12-15,25(31)34)23-11-21(29)22(30)14-32-23/h1-8,11,14-16,24H,9-10,12-13H2,(H2,31,34)/t15-,16-/m1/s1
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74n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259189
PNG
(CHEMBL3084536 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C#N)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H24Cl2N4O/c28-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)29)33-18-10-11-19(33)14-27(13-18,26(31)34)24-12-9-17(15-30)16-32-24/h1-9,12,16,18-19,25H,10-11,13-14H2,(H2,31,34)/t18-,19-/m1/s1
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75n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259580
PNG
(CHEMBL3084560 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)28)31-18-9-10-19(31)16-26(15-18,25(29)32)17-11-13-30-14-12-17/h1-8,11-14,18-19,24H,9-10,15-16H2,(H2,29,32)/t18-,19-/m1/s1
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79n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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85n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259233
PNG
(CHEMBL3084537 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(F)(F)F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
Show InChI InChI=1S/C27H24Cl2F3N3O/c28-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)29)35-17-10-11-18(35)14-26(13-17,25(33)36)23-12-9-16(15-34-23)27(30,31)32/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,33,36)/t17-,18-/m1/s1
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122n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259186
PNG
(CHEMBL3084533 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(OC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-19-12-13-24(31-16-19)27(26(30)33)14-17-10-11-18(15-27)32(17)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-9,12-13,16-18,25H,10-11,14-15H2,1H3,(H2,30,33)/t17-,18-/m1/s1
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133n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259143
PNG
(CHEMBL3084530 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl3N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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143n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259144
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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153n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259549
PNG
(CHEMBL3084555 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H29Cl2FN2O/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)34-21-13-14-22(34)17-29(16-21,18-27(33)35)15-19-9-11-20(32)12-10-19/h1-12,21-22,28H,13-18H2,(H2,33,35)/t21-,22-/m1/s1
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190n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259187
PNG
(CHEMBL3084534 | endo-3-(5-aminopyridin-2-yl)-8-(bi...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(N)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H26Cl2N4O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2,(H2,30,33)/t17-,18-/m1/s1
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205n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259396
PNG
(CHEMBL3084548 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2|
Show InChI InChI=1S/C25H24Cl2FN3/c26-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)27)31-17-10-11-18(31)14-25(29,13-17)23-12-9-16(28)15-30-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2/t17-,18-/m1/s1
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209n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259580
PNG
(CHEMBL3084560 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)28)31-18-9-10-19(31)16-26(15-18,25(29)32)17-11-13-30-14-12-17/h1-8,11-14,18-19,24H,9-10,15-16H2,(H2,29,32)/t18-,19-/m1/s1
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265n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259514
PNG
(CHEMBL3084554 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
Show InChI InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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284n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259397
PNG
(CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1
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312n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259348
PNG
(CHEMBL3084547 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:16:3.2|
Show InChI InChI=1S/C25H25Cl2N3/c26-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)27)30-17-12-13-18(30)16-25(28,15-17)23-11-5-6-14-29-23/h1-11,14,17-18,24H,12-13,15-16,28H2/t17-,18-/m1/s1
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343n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259279
PNG
(CHEMBL3084540 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-20-8-3-1-6-18(20)24(19-7-2-4-9-21(19)28)32-16-12-13-17(32)15-26(14-16,25(30)33)22-10-5-11-23(29)31-22/h1-11,16-17,24H,12-15H2,(H2,30,33)/t16-,17-/m1/s1
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348n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259346
PNG
(CHEMBL3084545 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(CF)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H25Cl2F2N3O/c28-21-7-3-1-5-19(21)25(20-6-2-4-8-22(20)29)34-17-9-10-18(34)13-27(12-17,26(32)35)24-11-16(14-30)23(31)15-33-24/h1-8,11,15,17-18,25H,9-10,12-14H2,(H2,32,35)/t17-,18-/m1/s1
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367n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259234
PNG
(CHEMBL3084538 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H26Cl2N4O2/c28-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)29)33-17-10-11-18(33)14-27(13-17,26(31)35)23-12-9-16(15-32-23)25(30)34/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,34)(H2,31,35)/t17-,18-/m1/s1
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401n/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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259551
PNG
(CHEMBL3084557 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](N)(Cc3ccc(Cl)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:18:3.2|
Show InChI InChI=1S/C27H27Cl3N2/c28-19-11-9-18(10-12-19)15-27(31)16-20-13-14-21(17-27)32(20)26(22-5-1-3-7-24(22)29)23-6-2-4-8-25(23)30/h1-12,20-21,26H,13-17,31H2/t20-,21-/m1/s1
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447n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259280
PNG
(CHEMBL3084541 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)cc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-20-7-3-1-5-18(20)24(19-6-2-4-8-21(19)28)33-16-9-10-17(33)14-26(13-16,25(31)34)22-11-15(29)12-23(30)32-22/h1-8,11-12,16-17,24H,9-10,13-14H2,(H2,31,34)/t16-,17-/m1/s1
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468n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259582
PNG
(CHEMBL512962 | endo-8-(bis(2-chlorophenyl)methyl)-...)
Show SMILES NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
Show InChI InChI=1S/C26H31Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-4,7-10,17-18,23-24,30H,5-6,11-16H2,(H2,29,32)/t17-,18-,23?/m1/s1
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474n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259189
PNG
(CHEMBL3084536 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C#N)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H24Cl2N4O/c28-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)29)33-18-10-11-19(33)14-27(13-18,26(31)34)24-12-9-17(15-30)16-32-24/h1-9,12,16,18-19,25H,10-11,13-14H2,(H2,31,34)/t18-,19-/m1/s1
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481n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259398
PNG
(CHEMBL3084550 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H26Cl2FN3O/c1-17(34)32-27(25-13-10-18(30)16-31-25)14-19-11-12-20(15-27)33(19)26(21-6-2-4-8-23(21)28)22-7-3-5-9-24(22)29/h2-10,13,16,19-20,26H,11-12,14-15H2,1H3,(H,32,34)/t19-,20-/m1/s1
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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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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741n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259513
PNG
(CHEMBL3084553 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(N(C)C)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C27H29Cl2N3/c1-31(2)27(25-13-7-8-16-30-25)17-19-14-15-20(18-27)32(19)26(21-9-3-5-11-23(21)28)22-10-4-6-12-24(22)29/h3-13,16,19-20,26H,14-15,17-18H2,1-2H3/t19-,20-/m1/s1
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840n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259511
PNG
(CHEMBL511232 | endo-methyl 8-(bis(2-chlorophenyl)m...)
Show SMILES COC(=O)NC1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cn1 |r,TLB:4:5:12:8.9|
Show InChI InChI=1S/C27H26Cl2FN3O2/c1-35-26(34)32-27(24-13-10-17(30)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19-/m1/s1
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887n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259512
PNG
(CHEMBL3084552 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H26Cl3N3O2/c1-35-26(34)32-27(24-13-10-17(28)16-31-24)14-18-11-12-19(15-27)33(18)25(20-6-2-4-8-22(20)29)21-7-3-5-9-23(21)30/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H,32,34)/t18-,19-/m1/s1
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961n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259347
PNG
(CHEMBL3084546 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(C(O)=O)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
Show InChI InChI=1S/C27H24Cl2FN3O3/c28-20-7-3-1-5-17(20)24(18-6-2-4-8-21(18)29)33-15-9-10-16(33)13-27(12-15,26(31)36)23-11-19(25(34)35)22(30)14-32-23/h1-8,11,14-16,24H,9-10,12-13H2,(H2,31,36)(H,34,35)/t15-,16-/m1/s1
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>1.00E+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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259235
PNG
(CHEMBL3084539 | endo-methyl 6-(8-(bis(2-chlorophen...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
Show InChI InChI=1S/C28H27Cl2N3O3/c1-36-26(34)17-10-13-24(32-16-17)28(27(31)35)14-18-11-12-19(15-28)33(18)25(20-6-2-4-8-22(20)29)21-7-3-5-9-23(21)30/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H2,31,35)/t18-,19-/m1/s1
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>1.00E+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 ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259234
PNG
(CHEMBL3084538 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
Show InChI InChI=1S/C27H26Cl2N4O2/c28-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)29)33-17-10-11-18(33)14-27(13-17,26(31)35)23-12-9-16(15-32-23)25(30)34/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,34)(H2,31,35)/t17-,18-/m1/s1
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1.32E+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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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1.61E+3n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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3.35E+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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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n/an/an/an/a 3.78E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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n/an/an/an/a 540n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259099
PNG
(CHEMBL3084527 | endo-N-((8-(bis(2-chlorophenyl)met...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2|
Show InChI InChI=1S/C29H30Cl2N2O/c1-20(34)32-19-29(21-9-3-2-4-10-21)17-22-15-16-23(18-29)33(22)28(24-11-5-7-13-26(24)30)25-12-6-8-14-27(25)31/h2-14,22-23,28H,15-19H2,1H3,(H,32,34)/t22-,23-/m1/s1
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n/an/an/an/a 269n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259397
PNG
(CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259397
PNG
(CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1
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n/an/an/an/a 1.93E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 733n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259143
PNG
(CHEMBL3084530 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl3N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 44n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259144
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 421n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259144
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24BrCl2N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 63n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259143
PNG
(CHEMBL3084530 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl3N3O/c27-16-9-12-23(31-15-16)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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n/an/an/an/a 368n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259552
PNG
(CHEMBL3084558 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)NC(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:22:3.2|
Show InChI InChI=1S/C29H29Cl3N2O2/c1-36-28(35)33-29(16-19-10-12-20(30)13-11-19)17-21-14-15-22(18-29)34(21)27(23-6-2-4-8-25(23)31)24-7-3-5-9-26(24)32/h2-13,21-22,27H,14-18H2,1H3,(H,33,35)/t21-,22-/m1/s1
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n/an/an/an/a 1.56E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259552
PNG
(CHEMBL3084558 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)NC(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:22:3.2|
Show InChI InChI=1S/C29H29Cl3N2O2/c1-36-28(35)33-29(16-19-10-12-20(30)13-11-19)17-21-14-15-22(18-29)34(21)27(23-6-2-4-8-25(23)31)24-7-3-5-9-26(24)32/h2-13,21-22,27H,14-18H2,1H3,(H,33,35)/t21-,22-/m1/s1
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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 cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%