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SMILES: [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC

InChI Key:

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 12 hits for monomerid = 50568639   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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PC cid
PC sid
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590n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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631n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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2.25E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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PC sid
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2.51E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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7.94E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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8.37E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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PC sid
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n/an/a 5.24E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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PC sid
UniChem
n/an/a 5.01E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 6.46E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.31E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50568639
PNG
(CHEMBL4846243)
Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
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n/an/a 9.56E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair