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BDBM50259549 CHEMBL3084555::endo-2-(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorobenzyl)-8-azabicyclo[3.2.1]octan-3-yl)acetamide

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

InChI Key: InChIKey=UTHLEDHUMJNQMN-FGZHOGPDSA-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 = 50259549   
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))
BDBM50259549
PNG
(CHEMBL3084555 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H29Cl2FN2O/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)34-21-13-14-22(34)17-29(16-21,18-27(33)35)15-19-9-11-20(32)12-10-19/h1-12,21-22,28H,13-18H2,(H2,33,35)/t21-,22-/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259549
PNG
(CHEMBL3084555 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H29Cl2FN2O/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)34-21-13-14-22(34)17-29(16-21,18-27(33)35)15-19-9-11-20(32)12-10-19/h1-12,21-22,28H,13-18H2,(H2,33,35)/t21-,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/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