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SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC

InChI Key: InChIKey=SPGQQODZCITPFQ-WCWHRKERSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50025271   
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))
BDBM50025271
PNG
(CHEMBL3330677)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C30H31NO10/c1-29-12-10-19-28(35)41-23(18-11-13-39-16-18)15-30(19,2)26(29)25(33)22(14-20(29)27(34)38-3)40-24(32)9-8-17-6-4-5-7-21(17)31(36)37/h4-9,11,13,16,19-20,22-23,26H,10,12,14-15H2,1-3H3/b9-8+/t19-,20-,22-,23-,26-,29-,30-/m0/s1
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Article
PubMed
148n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50025271
PNG
(CHEMBL3330677)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C30H31NO10/c1-29-12-10-19-28(35)41-23(18-11-13-39-16-18)15-30(19,2)26(29)25(33)22(14-20(29)27(34)38-3)40-24(32)9-8-17-6-4-5-7-21(17)31(36)37/h4-9,11,13,16,19-20,22-23,26H,10,12,14-15H2,1-3H3/b9-8+/t19-,20-,22-,23-,26-,29-,30-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50025271
PNG
(CHEMBL3330677)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C30H31NO10/c1-29-12-10-19-28(35)41-23(18-11-13-39-16-18)15-30(19,2)26(29)25(33)22(14-20(29)27(34)38-3)40-24(32)9-8-17-6-4-5-7-21(17)31(36)37/h4-9,11,13,16,19-20,22-23,26H,10,12,14-15H2,1-3H3/b9-8+/t19-,20-,22-,23-,26-,29-,30-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50025271
PNG
(CHEMBL3330677)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4[N+]([O-])=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C30H31NO10/c1-29-12-10-19-28(35)41-23(18-11-13-39-16-18)15-30(19,2)26(29)25(33)22(14-20(29)27(34)38-3)40-24(32)9-8-17-6-4-5-7-21(17)31(36)37/h4-9,11,13,16,19-20,22-23,26H,10,12,14-15H2,1-3H3/b9-8+/t19-,20-,22-,23-,26-,29-,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair