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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50037487   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50037487
PNG
((6S,11R)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037487
PNG
((6S,11R)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21-/m0/s1
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27n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037487
PNG
((6S,11R)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21-/m0/s1
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037487
PNG
((6S,11R)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21-/m0/s1
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49n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037487
PNG
((6S,11R)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21-/m0/s1
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57n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against delta receptor from displacement studies using 1.5 nM [3H]DPDPE in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair