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Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 49000865   
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
Delta-type opioid receptor


(MOUSE)
BDBM50060065
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20?,21-/m0/s1
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n/an/an/a 0.126n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060082
PNG
(2-({2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-met...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
Show InChI InChI=1S/C26H33N3O5/c1-15-10-20(30)11-16(2)21(15)13-23(28(4)5)25(32)29-14-19-9-7-6-8-18(19)12-22(29)24(31)27-17(3)26(33)34/h6-11,17,22-23,30H,12-14H2,1-5H3,(H,27,31)(H,33,34)/t17-,22-,23-/m0/s1
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n/an/an/a 0.251n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060068
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21?/m0/s1
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n/an/an/a 0.398n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060075
PNG
(2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C25H31N3O5/c1-14-9-19(29)10-15(2)20(14)12-21(26-4)24(31)28-13-18-8-6-5-7-17(18)11-22(28)23(30)27-16(3)25(32)33/h5-10,16,21-22,26,29H,11-13H2,1-4H3,(H,27,30)(H,32,33)/t16-,21-,22-/m0/s1
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n/an/an/a 1.60n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50039183
PNG
(CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...)
Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1
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n/an/an/a 2n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for its antagonist activity against (DPDE)delta receptor in mouse vas deferens


J Med Chem 37: 2262-5 (1994)


Article DOI: 10.1021/jm00041a003
BindingDB Entry DOI: 10.7270/Q2XP73ZB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060064
PNG
(2-[(R)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21?/m1/s1
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n/an/an/a 2.5n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060076
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C22H27N3O3/c1-13-8-17(26)9-14(2)18(13)11-19(24-3)22(28)25-12-16-7-5-4-6-15(16)10-20(25)21(23)27/h4-9,19-20,24,26H,10-12H2,1-3H3,(H2,23,27)/t19-,20?/m0/s1
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n/an/an/a 2.5n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060071
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23-3)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28/h4-9,19-20,23,25H,10-12H2,1-3H3,(H,27,28)/t19-,20?/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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
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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n/an/an/a 50n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against (DPDE)delta receptor in mouse vas deferens


J Med Chem 37: 2262-5 (1994)


Article DOI: 10.1021/jm00041a003
BindingDB Entry DOI: 10.7270/Q2XP73ZB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50060072
PNG
(2-[(R)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23-3)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28/h4-9,19-20,23,25H,10-12H2,1-3H3,(H,27,28)/t19-,20?/m1/s1
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n/an/an/a 158n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair