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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50030388   
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))
BDBM50295452
PNG
(CHEMBL3084677 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H32Cl2N2/c1-29-15-7-6-12-25(29)18-16-19-13-14-20(17-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-5,8-11,18-20,25-26H,6-7,12-17H2,1H3/t19-,20-,25?/m0/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
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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-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C27H34Cl2N2O/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)31-20-12-13-21(31)18-19(17-20)26-11-5-6-14-30(26)15-16-32/h1-4,7-10,19-21,26-27,32H,5-6,11-18H2/t20-,21-,26?/m0/s1
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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-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295432
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1CC#N)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C27H31Cl2N3/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)32-20-12-13-21(32)18-19(17-20)26-11-5-6-15-31(26)16-14-30/h1-4,7-10,19-21,26-27H,5-6,11-13,15-18H2/t20-,21-,26?/m0/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-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295433
PNG
(CHEMBL3084634 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-11,14,17-19,25H,12-13,15-16H2/t18-,19-/m0/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295453
PNG
(1-Acetyl-2-[exo-8-[bis(2-chlorophenyl)methyl]-8-az...)
Show SMILES CC(=O)N1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C27H32Cl2N2O/c1-18(32)30-15-7-6-12-26(30)19-16-20-13-14-21(17-19)31(20)27(22-8-2-4-10-24(22)28)23-9-3-5-11-25(23)29/h2-5,8-11,19-21,26-27H,6-7,12-17H2,1H3/t20-,21-,26?/m0/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 [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295437
PNG
(CHEMBL3084655 | exo-6-[8-[Bis(2-chlorophenyl)-meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)29-17-9-10-18(29)14-16(13-17)24-12-11-19(30)15-28-24/h1-8,11-12,15-18,25,30H,9-10,13-14H2/t17-,18-/m0/s1
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234n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295437
PNG
(CHEMBL3084655 | exo-6-[8-[Bis(2-chlorophenyl)-meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)29-17-9-10-18(29)14-16(13-17)24-12-11-19(30)15-28-24/h1-8,11-12,15-18,25,30H,9-10,13-14H2/t17-,18-/m0/s1
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234n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295450
PNG
(CHEMBL3084657 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cnco1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:14:2.3|
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-7-3-1-5-18(20)23(19-6-2-4-8-21(19)25)27-16-9-10-17(27)12-15(11-16)22-13-26-14-28-22/h1-8,13-17,23H,9-12H2/t16-,17-/m0/s1
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272n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295444
PNG
(CHEMBL3084667 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(C)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-7-6-12-25(29-17)18-15-19-13-14-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-12,18-20,26H,13-16H2,1H3/t19-,20-/m0/s1
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276n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295444
PNG
(CHEMBL3084667 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(C)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-7-6-12-25(29-17)18-15-19-13-14-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-12,18-20,26H,13-16H2,1H3/t19-,20-/m0/s1
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276n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295447
PNG
(CHEMBL3084637 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-23-9-3-1-7-21(23)25(22-8-2-4-10-24(22)27)29-19-11-12-20(29)15-18(14-19)17-6-5-13-28-16-17/h1-10,13,16,18-20,25H,11-12,14-15H2/t19-,20-/m0/s1
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286n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295447
PNG
(CHEMBL3084637 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-23-9-3-1-7-21(23)25(22-8-2-4-10-24(22)27)29-19-11-12-20(29)15-18(14-19)17-6-5-13-28-16-17/h1-10,13,16,18-20,25H,11-12,14-15H2/t19-,20-/m0/s1
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286n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295432
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1CC#N)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C27H31Cl2N3/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)32-20-12-13-21(32)18-19(17-20)26-11-5-6-15-31(26)16-14-30/h1-4,7-10,19-21,26-27H,5-6,11-13,15-18H2/t20-,21-,26?/m0/s1
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309n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C27H34Cl2N2O/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)31-20-12-13-21(31)18-19(17-20)26-11-5-6-14-30(26)15-16-32/h1-4,7-10,19-21,26-27,32H,5-6,11-18H2/t20-,21-,26?/m0/s1
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325n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295446
PNG
(CHEMBL3084668 | Exo-8-[bis(2-chorophenyl)methyl]-3...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C26H25Cl2N/c27-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)28)29-20-14-15-21(29)17-19(16-20)18-8-2-1-3-9-18/h1-13,19-21,26H,14-17H2/t20-,21-/m0/s1
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330n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295446
PNG
(CHEMBL3084668 | Exo-8-[bis(2-chorophenyl)methyl]-3...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C26H25Cl2N/c27-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)28)29-20-14-15-21(29)17-19(16-20)18-8-2-1-3-9-18/h1-13,19-21,26H,14-17H2/t20-,21-/m0/s1
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330n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
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412n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295445
PNG
(CHEMBL3084636 | Exo-8-[bis(2-chorophenyl)methyl]-3...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(OC)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
Show InChI InChI=1S/C26H26Cl2N2O/c1-31-25-12-6-11-24(29-25)17-15-18-13-14-19(16-17)30(18)26(20-7-2-4-9-22(20)27)21-8-3-5-10-23(21)28/h2-12,17-19,26H,13-16H2,1H3/t18-,19-/m0/s1
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421n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295445
PNG
(CHEMBL3084636 | Exo-8-[bis(2-chorophenyl)methyl]-3...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(OC)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
Show InChI InChI=1S/C26H26Cl2N2O/c1-31-25-12-6-11-24(29-25)17-15-18-13-14-19(16-17)30(18)26(20-7-2-4-9-22(20)27)21-8-3-5-10-23(21)28/h2-12,17-19,26H,13-16H2,1H3/t18-,19-/m0/s1
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421n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295433
PNG
(CHEMBL3084634 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-11,14,17-19,25H,12-13,15-16H2/t18-,19-/m0/s1
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518n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295438
PNG
(CHEMBL3084666 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(SC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
Show InChI InChI=1S/C26H26Cl2N2S/c1-31-20-12-13-25(29-16-20)17-14-18-10-11-19(15-17)30(18)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-9,12-13,16-19,26H,10-11,14-15H2,1H3/t18-,19-/m0/s1
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584n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295438
PNG
(CHEMBL3084666 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(SC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
Show InChI InChI=1S/C26H26Cl2N2S/c1-31-20-12-13-25(29-16-20)17-14-18-10-11-19(15-17)30(18)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-9,12-13,16-19,26H,10-11,14-15H2,1H3/t18-,19-/m0/s1
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584n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295452
PNG
(CHEMBL3084677 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H32Cl2N2/c1-29-15-7-6-12-25(29)18-16-19-13-14-20(17-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-5,8-11,18-20,25-26H,6-7,12-17H2,1H3/t19-,20-,25?/m0/s1
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596n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295436
PNG
(CHEMBL3084648 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-10-13-25(29-16-17)18-14-19-11-12-20(15-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-10,13,16,18-20,26H,11-12,14-15H2,1H3/t19-,20-/m0/s1
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661n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295436
PNG
(CHEMBL3084648 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-10-13-25(29-16-17)18-14-19-11-12-20(15-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-10,13,16,18-20,26H,11-12,14-15H2,1H3/t19-,20-/m0/s1
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661n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295448
PNG
(CHEMBL3084642 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)27)29-19-9-10-20(29)16-18(15-19)17-11-13-28-14-12-17/h1-8,11-14,18-20,25H,9-10,15-16H2/t19-,20-/m0/s1
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791n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295448
PNG
(CHEMBL3084642 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)27)29-19-9-10-20(29)16-18(15-19)17-11-13-28-14-12-17/h1-8,11-14,18-20,25H,9-10,15-16H2/t19-,20-/m0/s1
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791n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295442
PNG
(CHEMBL3084635 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cc(C)ccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-12-13-29-25(14-17)18-15-19-10-11-20(16-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-9,12-14,18-20,26H,10-11,15-16H2,1H3/t19-,20-/m0/s1
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891n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295442
PNG
(CHEMBL3084635 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cc(C)ccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-12-13-29-25(14-17)18-15-19-10-11-20(16-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-9,12-14,18-20,26H,10-11,15-16H2,1H3/t19-,20-/m0/s1
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891n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295435
PNG
(CHEMBL3084656 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-17-9-12-24(29-15-17)16-13-18-10-11-19(14-16)30(18)25(20-5-1-3-7-22(20)27)21-6-2-4-8-23(21)28/h1-9,12,15-16,18-19,25H,10-11,13-14H2/t18-,19-/m0/s1
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894n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295435
PNG
(CHEMBL3084656 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-17-9-12-24(29-15-17)16-13-18-10-11-19(14-16)30(18)25(20-5-1-3-7-22(20)27)21-6-2-4-8-23(21)28/h1-9,12,15-16,18-19,25H,10-11,13-14H2/t18-,19-/m0/s1
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894n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295441
PNG
(CHEMBL3084669 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1CN1CCCCC1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:2.3|
Show InChI InChI=1S/C31H35Cl2N3/c32-28-12-4-2-10-26(28)31(27-11-3-5-13-29(27)33)36-24-14-15-25(36)20-23(19-24)30-22(9-8-16-34-30)21-35-17-6-1-7-18-35/h2-5,8-13,16,23-25,31H,1,6-7,14-15,17-21H2/t24-,25-/m0/s1
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918n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295441
PNG
(CHEMBL3084669 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1CN1CCCCC1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:2.3|
Show InChI InChI=1S/C31H35Cl2N3/c32-28-12-4-2-10-26(28)31(27-11-3-5-13-29(27)33)36-24-14-15-25(36)20-23(19-24)30-22(9-8-16-34-30)21-35-17-6-1-7-18-35/h2-5,8-13,16,23-25,31H,1,6-7,14-15,17-21H2/t24-,25-/m0/s1
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918n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295433
PNG
(CHEMBL3084634 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-11,14,17-19,25H,12-13,15-16H2/t18-,19-/m0/s1
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1.07E+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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295434
PNG
(CHEMBL3084673 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23Cl2FN2/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)30-18-10-11-19(30)14-16(13-18)24-12-9-17(28)15-29-24/h1-9,12,15-16,18-19,25H,10-11,13-14H2/t18-,19-/m0/s1
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1.13E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295434
PNG
(CHEMBL3084673 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23Cl2FN2/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)30-18-10-11-19(30)14-16(13-18)24-12-9-17(28)15-29-24/h1-9,12,15-16,18-19,25H,10-11,13-14H2/t18-,19-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295449
PNG
(CHEMBL3084649 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C24H23Cl2N3/c25-21-8-3-1-6-19(21)23(20-7-2-4-9-22(20)26)29-17-10-11-18(29)15-16(14-17)24-27-12-5-13-28-24/h1-9,12-13,16-18,23H,10-11,14-15H2/t17-,18-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295449
PNG
(CHEMBL3084649 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C24H23Cl2N3/c25-21-8-3-1-6-19(21)23(20-7-2-4-9-22(20)26)29-17-10-11-18(29)15-16(14-17)24-27-12-5-13-28-24/h1-9,12-13,16-18,23H,10-11,14-15H2/t17-,18-/m0/s1
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1.18E+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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295439
PNG
(CHEMBL3084672 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-7-6-14-29-25(17)18-15-19-12-13-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-11,14,18-20,26H,12-13,15-16H2,1H3/t19-,20-/m0/s1
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1.68E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295439
PNG
(CHEMBL3084672 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H26Cl2N2/c1-17-7-6-14-29-25(17)18-15-19-12-13-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-11,14,18-20,26H,12-13,15-16H2,1H3/t19-,20-/m0/s1
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1.68E+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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295443
PNG
(CHEMBL3084661 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23Cl2FN2/c26-21-8-3-1-6-19(21)25(20-7-2-4-9-22(20)27)30-17-12-13-18(30)15-16(14-17)23-10-5-11-24(28)29-23/h1-11,16-18,25H,12-15H2/t17-,18-/m0/s1
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5.42E+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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295443
PNG
(CHEMBL3084661 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23Cl2FN2/c26-21-8-3-1-6-19(21)25(20-7-2-4-9-22(20)27)30-17-12-13-18(30)15-16(14-17)23-10-5-11-24(28)29-23/h1-11,16-18,25H,12-15H2/t17-,18-/m0/s1
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5.42E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295440
PNG
(CHEMBL3084660 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-21-8-5-13-29-24(21)16-14-17-11-12-18(15-16)30(17)25(19-6-1-3-9-22(19)27)20-7-2-4-10-23(20)28/h1-10,13,16-18,25H,11-12,14-15H2/t17-,18-/m0/s1
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8.38E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295440
PNG
(CHEMBL3084660 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-21-8-5-13-29-24(21)16-14-17-11-12-18(15-16)30(17)25(19-6-1-3-9-22(19)27)20-7-2-4-10-23(20)28/h1-10,13,16-18,25H,11-12,14-15H2/t17-,18-/m0/s1
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8.38E+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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50295433
PNG
(CHEMBL3084634 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-11,14,17-19,25H,12-13,15-16H2/t18-,19-/m0/s1
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1.15E+4n/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 by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295433
PNG
(CHEMBL3084634 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
Show InChI InChI=1S/C25H24Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-11,14,17-19,25H,12-13,15-16H2/t18-,19-/m0/s1
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n/an/an/an/a 2.19E+3n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence ...


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295432
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1CC#N)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C27H31Cl2N3/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)32-20-12-13-21(32)18-19(17-20)26-11-5-6-15-31(26)16-14-30/h1-4,7-10,19-21,26-27H,5-6,11-13,15-18H2/t20-,21-,26?/m0/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 NOP receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence of GDP


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295452
PNG
(CHEMBL3084677 | exo-8-[Bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C26H32Cl2N2/c1-29-15-7-6-12-25(29)18-16-19-13-14-20(17-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-5,8-11,18-20,25-26H,6-7,12-17H2,1H3/t19-,20-,25?/m0/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 NOP receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence of GDP


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
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Ligand-Target Pair
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