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PubMed code 1317407

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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-/m1/s1
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PubMed
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50292538
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21
Show InChI InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50292537
PNG
(CHEMBL484665 | akuammine)
Show SMILES COC(=O)[C@]12CO[C@]34[C@@H]5C[C@@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C
Show InChI InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18+,20+,21+,22-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50292540
PNG
(CHEMBL489955 | dihydroakuammine)
Show SMILES COC(=O)[C@@]1(CO)[C@@H]2CC[C@]34N(CC[C@]13c1cc(O)ccc1N4C)C\C2=C\C
Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-21-17-11-15(26)5-6-18(17)23(2)22(21,24)8-7-16(14)20(21,13-25)19(27)28-3/h4-6,11,16,25-26H,7-10,12-13H2,1-3H3/b14-4-/t16-,20?,21+,22+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50292538
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21
Show InChI InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDP from delta opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50292537
PNG
(CHEMBL484665 | akuammine)
Show SMILES COC(=O)[C@]12CO[C@]34[C@@H]5C[C@@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C
Show InChI InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18+,20+,21+,22-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDP from delta opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50292540
PNG
(CHEMBL489955 | dihydroakuammine)
Show SMILES COC(=O)[C@@]1(CO)[C@@H]2CC[C@]34N(CC[C@]13c1cc(O)ccc1N4C)C\C2=C\C
Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-21-17-11-15(26)5-6-18(17)23(2)22(21,24)8-7-16(14)20(21,13-25)19(27)28-3/h4-6,11,16,25-26H,7-10,12-13H2,1-3H3/b14-4-/t16-,20?,21+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDP from delta opioid receptor in rat central nervous system membrane


J Nat Prod 55: 380-384 (1992)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%