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BDBM50259514 CHEMBL3084554::endo-8-(bis(2-chlorophenyl)methyl)-3-(4-chlorobenzyl)-8-azabicyclo[3.2.1]octane-3-carboxamide

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

InChI Key: InChIKey=MNIJWJCCHXLKST-NHCUHLMSSA-N

Data: 2 KI

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 2 hits for monomerid = 50259514   
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))
BDBM50259514
PNG
(CHEMBL3084554 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
Show InChI InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/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))
BDBM50259514
PNG
(CHEMBL3084554 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
Show InChI InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
284n/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