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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for monomerid = 50010656   
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


(Homo sapiens (Human))
BDBM50010656
PNG
(CHEMBL3264745)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
Show InChI InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in HEK293 cells by CellKey method


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50010656
PNG
(CHEMBL3264745)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
Show InChI InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50010656
PNG
(CHEMBL3264745)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
Show InChI InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 5.10n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells by CellKey method


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010656
PNG
(CHEMBL3264745)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
Show InChI InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 6.5n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50010656
PNG
(CHEMBL3264745)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC=C)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:26.15.16,THB:7:6:25:1.2|
Show InChI InChI=1S/C29H30N2O5/c1-2-13-30-14-12-27-22-19-8-9-20(32)23(22)34-17-35-29-11-10-28(27,21(30)15-19)36-24(25(27)29)26(33)31(29)16-18-6-4-3-5-7-18/h2-9,21,24-25,32H,1,10-17H2/t21-,24+,25+,27+,28-,29+/m1/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 231n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair