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SMILES: CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C

InChI Key: InChIKey=MMGUEXKWXRKQHV-ORYMTKCHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50102027   
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


(Rattus norvegicus (rat))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
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PC cid
PC sid
UniChem

Similars

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



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.32E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair