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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'minosi' and Initial = 'p'   
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))
BDBM50595851
PNG
(CHEMBL5192735)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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0.920n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595850
PNG
(CHEMBL5188021)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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1.10n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595847
PNG
(CHEMBL5199097)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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1.30n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595846
PNG
(CHEMBL5183917)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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2.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595852
PNG
(CHEMBL5194818)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595849
PNG
(CHEMBL5169404)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595853
PNG
(CHEMBL5177451)
Show SMILES CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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3.60n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595848
PNG
(CHEMBL5179970)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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4.40n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231830
PNG
(CHEMBL4066390)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-10-6-5-7-11-23)34(47)43-32(36(49)50)38(3,4)52-22-26-13-9-8-12-25(26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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17n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231828
PNG
(CHEMBL4086190)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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35n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231830
PNG
(CHEMBL4066390)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-10-6-5-7-11-23)34(47)43-32(36(49)50)38(3,4)52-22-26-13-9-8-12-25(26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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115n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231829
PNG
(CHEMBL4104096)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)cc2 |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-8-6-5-7-9-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-10-25(11-13-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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249n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231828
PNG
(CHEMBL4086190)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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292n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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438n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50231829
PNG
(CHEMBL4104096)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)cc2 |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-8-6-5-7-9-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-10-25(11-13-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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546n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method


ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595850
PNG
(CHEMBL5188021)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 9.55E+3n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595851
PNG
(CHEMBL5192735)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595852
PNG
(CHEMBL5194818)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 1.86E+3n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595849
PNG
(CHEMBL5169404)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 5.10n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595848
PNG
(CHEMBL5179970)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 1.35E+3n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595847
PNG
(CHEMBL5199097)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 22n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
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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n/an/an/an/a 1.45E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595853
PNG
(CHEMBL5177451)
Show SMILES CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 7.90n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595846
PNG
(CHEMBL5183917)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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n/an/an/an/a 26n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair