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BDBM50259579 CHEMBL3084559::endo-8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide

SMILES: [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=VVCRMEISGQLUSE-RTBURBONSA-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 = 50259579   
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))
BDBM50259579
PNG
(CHEMBL3084559 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)28)31-18-11-12-19(31)15-26(14-18,25(29)32)17-6-5-13-30-16-17/h1-10,13,16,18-19,24H,11-12,14-15H2,(H2,29,32)/t18-,19-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/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))
BDBM50259579
PNG
(CHEMBL3084559 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)28)31-18-11-12-19(31)15-26(14-18,25(29)32)17-6-5-13-30-16-17/h1-10,13,16,18-19,24H,11-12,14-15H2,(H2,29,32)/t18-,19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
71n/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