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BDBM50295452 CHEMBL3084677::exo-8-[Bis(2-chlorophenyl)methyl]-3-(1-methyl-2-piperidinyl)-8-azabicyclo[3.2.1]octane

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=HBCQQSSZNFVMIR-QGGGIAGFSA-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 = 50295452   
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))
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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Article
PubMed
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
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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Article
PubMed
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
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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PC sid
UniChem

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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