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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu and delta' AND taxid = 9823   
Target
(Institution)
LigandTarget
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
Opioid receptors; mu and delta


(MOUSE)
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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PubMed
n/an/an/an/a 1.60n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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PubMed
n/an/an/an/a 1.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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PubMed
n/an/an/an/a 2.90n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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PubMed
n/an/an/an/a 1.06E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair