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BDBM50295441 CHEMBL3084669::exo-8-[Bis(2-chlorophenyl)methyl]-3-[3-(1-piperidinylmethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1CN1CCCCC1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=ZLGWYJASQNICIN-DQEYMECFSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295441   
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))
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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PC cid
PC sid
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Similars

Article
PubMed
7n/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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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