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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for monomerid = 50248991   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248991
PNG
(CHEMBL474755 | N-Cyclopropylmethyl-14beta-cinnamoy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a 26n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50248991
PNG
(CHEMBL474755 | N-Cyclopropylmethyl-14beta-cinnamoy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
PDB

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antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50248991
PNG
(CHEMBL474755 | N-Cyclopropylmethyl-14beta-cinnamoy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 430n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair