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BDBM50259098 CHEMBL3084526::endo-8-(bis(2-chlorophenyl)methyl)-3-(4-fluorobenzyl)-8-azabicyclo[3.2.1]octane-3-carboxamide

SMILES: [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=SPEHUFZCQVFXFF-NHCUHLMSSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50259098   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
BindingDB Entry DOI: 10.7270/Q2D21XH9
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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PC sid
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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
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair