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BDBM50392801 CHEMBL2151247

SMILES: CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=QTZJLWFULMKGIZ-OHJBYYGUNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392801   
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
Mu-type opioid receptor


(MOUSE)
BDBM50392801
PNG
(CHEMBL2151247)
Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/s2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.324n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392801
PNG
(CHEMBL2151247)
Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair