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BDBM50381665 CHEMBL2022306

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC

InChI Key: InChIKey=RZQBFSLQLZYXNW-GRTRAUACSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50381665   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair