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BDBM50259099 CHEMBL3084527::endo-N-((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-yl)methyl)acetamide

SMILES: [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=XCYVMPGKVNMSEA-DHIUTWEWSA-N

Data: 1 KI  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259099   
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))
BDBM50259099
PNG
(CHEMBL3084527 | endo-N-((8-(bis(2-chlorophenyl)met...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2|
Show InChI InChI=1S/C29H30Cl2N2O/c1-20(34)32-19-29(21-9-3-2-4-10-21)17-22-15-16-23(18-29)33(22)28(24-11-5-7-13-26(24)30)25-12-6-8-14-27(25)31/h2-14,22-23,28H,15-19H2,1H3,(H,32,34)/t22-,23-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
20n/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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259099
PNG
(CHEMBL3084527 | endo-N-((8-(bis(2-chlorophenyl)met...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2|
Show InChI InChI=1S/C29H30Cl2N2O/c1-20(34)32-19-29(21-9-3-2-4-10-21)17-22-15-16-23(18-29)33(22)28(24-11-5-7-13-26(24)30)25-12-6-8-14-27(25)31/h2-14,22-23,28H,15-19H2,1H3,(H,32,34)/t22-,23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 269n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


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