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BDBM50259398 CHEMBL3084550::endo-N-(8-(bis(2-chlorophenyl)methyl)-3-(5-fluoropyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)acetamide

SMILES: [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=SKSISAHGNHFWID-WOJBJXKFSA-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 = 50259398   
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))
BDBM50259398
PNG
(CHEMBL3084550 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H26Cl2FN3O/c1-17(34)32-27(25-13-10-18(30)16-31-25)14-19-11-12-20(15-27)33(19)26(21-6-2-4-8-23(21)28)22-7-3-5-9-24(22)29/h2-10,13,16,19-20,26H,11-12,14-15H2,1H3,(H,32,34)/t19-,20-/m1/s1
PDB

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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))
BDBM50259398
PNG
(CHEMBL3084550 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H26Cl2FN3O/c1-17(34)32-27(25-13-10-18(30)16-31-25)14-19-11-12-20(15-27)33(19)26(21-6-2-4-8-23(21)28)22-7-3-5-9-24(22)29/h2-10,13,16,19-20,26H,11-12,14-15H2,1H3,(H,32,34)/t19-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
601n/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