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BDBM50120151 C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pentyl)-azetidin-2-yl]}-methylamine::CHEMBL108893

SMILES: CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1

InChI Key: InChIKey=XGJBQLUMKAYNAP-GJGLBJJNSA-N

Data: 4 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 4 hits for monomerid = 50120151   
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))
BDBM50120151
PNG
(C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pent...)
Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H27ClN2/c1-2-3-12-19(16-8-5-4-6-9-16)24-14-13-20(24)21(23)17-10-7-11-18(22)15-17/h4-11,15,19-21H,2-3,12-14,23H2,1H3/t19?,20-,21+/m0/s1
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30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50120151
PNG
(C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pent...)
Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H27ClN2/c1-2-3-12-19(16-8-5-4-6-9-16)24-14-13-20(24)21(23)17-10-7-11-18(22)15-17/h4-11,15,19-21H,2-3,12-14,23H2,1H3/t19?,20-,21+/m0/s1
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1.82E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human opioid receptor mu 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.12...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50120151
PNG
(C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pent...)
Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H27ClN2/c1-2-3-12-19(16-8-5-4-6-9-16)24-14-13-20(24)21(23)17-10-7-11-18(22)15-17/h4-11,15,19-21H,2-3,12-14,23H2,1H3/t19?,20-,21+/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human opioid receptor kappa 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120151
PNG
(C-{(R)-C-(3-Chloro-phenyl)-C-[(S)-1-(1-phenyl-pent...)
Show SMILES CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H27ClN2/c1-2-3-12-19(16-8-5-4-6-9-16)24-14-13-20(24)21(23)17-10-7-11-18(22)15-17/h4-11,15,19-21H,2-3,12-14,23H2,1H3/t19?,20-,21+/m0/s1
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PubMed
8.05E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair