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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50596293   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50596293
PNG
(CHEMBL5188658)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6|
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PC sid
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0.0356n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50596293
PNG
(CHEMBL5188658)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6|
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3.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50596293
PNG
(CHEMBL5188658)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6|
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26n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50596293
PNG
(CHEMBL5188658)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6|
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31n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair