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BDBM50295454 2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-piperidineethanol::CHEMBL551111

SMILES: OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=XCIYQUVOTASHRS-IPEYFGQDSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50295454   
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))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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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Article
PubMed
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
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
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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Article
PubMed
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))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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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Article
PubMed
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