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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50066533   
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))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50066533
PNG
(1N-[10-cyanomethoxy-4-cyclopropylmethyl-14-oxo-(17...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#N)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Show InChI InChI=1S/C31H30ClN3O4/c32-22-7-3-19(4-8-22)5-10-26(37)34-31-12-11-23(36)29-30(31)13-15-35(18-20-1-2-20)25(31)17-21-6-9-24(38-16-14-33)28(39-29)27(21)30/h3-10,20,25,29H,1-2,11-13,15-18H2,(H,34,37)/b10-5+/t25?,29-,30-,31+/m0/s1
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Article
PubMed
90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair