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BDBM50245891 (rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(6-methoxypyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide::CHEMBL516801

SMILES: COc1cccc(n1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=AOXJOMIDFAZSDN-SFTDATJTSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50245891   
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))
BDBM50245891
PNG
((rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(6-metho...)
Show SMILES COc1cccc(n1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,6:8:20:16.17|
Show InChI InChI=1S/C29H31Cl2N3O2/c1-19(35)32-18-29(26-12-7-13-27(33-26)36-2)16-20-14-15-21(17-29)34(20)28(22-8-3-5-10-24(22)30)23-9-4-6-11-25(23)31/h3-13,20-21,28H,14-18H2,1-2H3,(H,32,35)/t20-,21-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human cloned nociceptin receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 6340-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.088
BindingDB Entry DOI: 10.7270/Q2QC0396
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50245891
PNG
((rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(6-metho...)
Show SMILES COc1cccc(n1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,6:8:20:16.17|
Show InChI InChI=1S/C29H31Cl2N3O2/c1-19(35)32-18-29(26-12-7-13-27(33-26)36-2)16-20-14-15-21(17-29)34(20)28(22-8-3-5-10-24(22)30)23-9-4-6-11-25(23)31/h3-13,20-21,28H,14-18H2,1-2H3,(H,32,35)/t20-,21-/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
251n/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 18: 6340-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.088
BindingDB Entry DOI: 10.7270/Q2QC0396
More data for this
Ligand-Target Pair