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Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50016980   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598866
PNG
(CHEMBL5205530)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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0.0240n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598866
PNG
(CHEMBL5205530)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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0.0510n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598860
PNG
(CHEMBL5177908)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(CO)C1)ccc3OC |r,THB:10:9:17:4.6.5|
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3.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598862
PNG
(CHEMBL5178795)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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3.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598864
PNG
(CHEMBL5171735)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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3.90n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598860
PNG
(CHEMBL5177908)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(CO)C1)ccc3OC |r,THB:10:9:17:4.6.5|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598864
PNG
(CHEMBL5171735)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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6.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598863
PNG
(CHEMBL5188701)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598863
PNG
(CHEMBL5188701)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598865
PNG
(CHEMBL5190163)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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17n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598861
PNG
(CHEMBL5200910)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C=O)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598874
PNG
(CHEMBL5207736)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598867
PNG
(CHEMBL5179816)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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38n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598865
PNG
(CHEMBL5190163)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598869
PNG
(CHEMBL5180450)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598872
PNG
(CHEMBL5206165)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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49n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598873
PNG
(CHEMBL5202222)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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52n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598867
PNG
(CHEMBL5179816)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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54n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598874
PNG
(CHEMBL5207736)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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65n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598866
PNG
(CHEMBL5205530)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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74n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598871
PNG
(CHEMBL5198378)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598875
PNG
(CHEMBL5173533)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cc(C)cc(C)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598870
PNG
(CHEMBL5199796)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598876
PNG
(CHEMBL5170846)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc2ccccc2c1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598868
PNG
(CHEMBL5189127)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(Cl)c(Cl)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598875
PNG
(CHEMBL5173533)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cc(C)cc(C)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598870
PNG
(CHEMBL5199796)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598876
PNG
(CHEMBL5170846)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc2ccccc2c1)ccc3OC |r,THB:10:9:4.5.6:17|
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107n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598872
PNG
(CHEMBL5206165)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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109n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598872
PNG
(CHEMBL5206165)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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125n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598860
PNG
(CHEMBL5177908)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(CO)C1)ccc3OC |r,THB:10:9:17:4.6.5|
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125n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598871
PNG
(CHEMBL5198378)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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147n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598867
PNG
(CHEMBL5179816)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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175n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598864
PNG
(CHEMBL5171735)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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178n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598869
PNG
(CHEMBL5180450)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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236n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598875
PNG
(CHEMBL5173533)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1cc(C)cc(C)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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259n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598861
PNG
(CHEMBL5200910)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C=O)ccc3OC |r,THB:10:9:4.5.6:17|
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265n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598876
PNG
(CHEMBL5170846)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc2ccccc2c1)ccc3OC |r,THB:10:9:4.5.6:17|
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338n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598873
PNG
(CHEMBL5202222)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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350n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598877
PNG
(CHEMBL5173537)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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463n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598868
PNG
(CHEMBL5189127)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(Cl)c(Cl)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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620n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598877
PNG
(CHEMBL5173537)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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728n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598874
PNG
(CHEMBL5207736)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(C)C)ccc3OC |r,THB:10:9:4.5.6:17|
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732n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598865
PNG
(CHEMBL5190163)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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867n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598873
PNG
(CHEMBL5202222)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17|
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953n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598862
PNG
(CHEMBL5178795)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17|
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961n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598861
PNG
(CHEMBL5200910)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C=O)ccc3OC |r,THB:10:9:4.5.6:17|
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1.12E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598871
PNG
(CHEMBL5198378)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)C(=O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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1.18E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50598868
PNG
(CHEMBL5189127)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(Cl)c(Cl)c1)ccc3OC |r,THB:10:9:4.5.6:17|
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2.41E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50598863
PNG
(CHEMBL5188701)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3OC |r,THB:10:9:4.5.6:17|
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>5.00E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00014
BindingDB Entry DOI: 10.7270/Q2QJ7N96
More data for this
Ligand-Target Pair
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