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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50006494   
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))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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0.5n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.560n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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0.780n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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1.90n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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3.69n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049808
PNG
(CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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4.70n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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4.70n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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6.40n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049803
PNG
(CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)
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8.80n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049809
PNG
(CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)
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18n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049801
PNG
(4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...)
Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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35n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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47n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049808
PNG
(CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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53n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049809
PNG
(CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)
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62n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049803
PNG
(CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)
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69n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049801
PNG
(4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...)
Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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>100n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049804
PNG
(1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...)
Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)
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>100n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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105n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50008170
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
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129n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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153n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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275n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049804
PNG
(1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...)
Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)
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296n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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>300n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049808
PNG
(CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049809
PNG
(CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049803
PNG
(CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049801
PNG
(4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...)
Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against delta Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50049804
PNG
(1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...)
Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against delta Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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1.30E+4n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50049803
PNG
(CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)
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1.70E+4n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair