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BDBM50295433 CHEMBL3084634::exo-8-[Bis(2-chlorophenyl)methyl]-3-(2-pyridinyl)-8-azabicyclo[3.2.1]octane

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=TYLQNPVGILBSQQ-OALUTQOASA-N

Data: 4 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 6 hits for monomerid = 50295433   
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))
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
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))
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
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))
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 28n/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
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