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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'bouzanne des mazery' and Initial = 'r'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236864
PNG
(CHEMBL4096473)
Show SMILES [H][C@]12CCC[C@H](N(C)C)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.160n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130757
PNG
(CHEMBL3634516)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/s2
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0.25n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130757
PNG
(CHEMBL3634516)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/s2
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0.25n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236870
PNG
(CHEMBL4064380)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(c(Cl)c1)C(F)(F)F |r|
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0.270n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236878
PNG
(CHEMBL4084350)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.310n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130756
PNG
(CHEMBL3634515)
Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/s2
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0.350n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236871
PNG
(CHEMBL4069231)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.350n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027433
PNG
(CHEMBL603370 | GR-89696)
Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236886
PNG
(CHEMBL4099849)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.430n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236865
PNG
(CHEMBL4095192)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.450n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236874
PNG
(CHEMBL4072961)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](F)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r|
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0.560n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236875
PNG
(CHEMBL4074031)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.630n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236868
PNG
(CHEMBL4091184)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r|
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0.650n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236872
PNG
(CHEMBL4072972)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.700n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236866
PNG
(CHEMBL4061582)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r|
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0.820n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236879
PNG
(CHEMBL4069149)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)c(F)c1 |r|
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0.820n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236881
PNG
(CHEMBL4094571)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(=O)(=O)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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0.950n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236882
PNG
(CHEMBL4096405)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)cc1 |r|
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0.980n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236876
PNG
(CHEMBL4070248)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(F)c1 |r|
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1.20n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236873
PNG
(CHEMBL4099840)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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1.30n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from serotonin transporter of rat brain


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236877
PNG
(CHEMBL4064388)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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1.40n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236883
PNG
(CHEMBL4092106)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)C(=O)NC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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1.5n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236884
PNG
(CHEMBL4060558)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(F)c(Cl)c1 |r|
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1.70n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236869
PNG
(CHEMBL4092100)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1cccc(Cl)c1 |r|
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1.70n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236867
PNG
(CHEMBL4083401)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(F)c1 |r|
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1.80n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236885
PNG
(CHEMBL4088788)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(F)c1 |r|
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2.10n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM54795
PNG
((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236880
PNG
(CHEMBL4102311)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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2.5n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Almond


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Zinc finger protein 664


(Cavia porcellus)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Zinc finger protein 664


(Cavia porcellus)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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6.60n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM54795
PNG
((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissue


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50021992
PNG
(CHEMBL3299005)
Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor (unknown origin)


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021992
PNG
(CHEMBL3299005)
Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021992
PNG
(CHEMBL3299005)
Show SMILES [H][C@@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/m0/s1
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15n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130758
PNG
(CHEMBL3634395)
Show SMILES [H][C@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19+,21+/s2
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20n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130755
PNG
(CHEMBL3634398)
Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21-/s2
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20n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50236881
PNG
(CHEMBL4094571)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(=O)(=O)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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21n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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35n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50130757
PNG
(CHEMBL3634516)
Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/s2
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43n/an/an/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 25: 5326-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4KJC
More data for this
Ligand-Target Pair
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