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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50520471   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50520471
PNG
(CHEMBL4592669)
Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1
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0.450n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay


J Med Chem 63: 1671-1683 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01818
BindingDB Entry DOI: 10.7270/Q2XG9VH9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50520471
PNG
(CHEMBL4592669)
Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1
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0.820n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay


J Med Chem 63: 1671-1683 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01818
BindingDB Entry DOI: 10.7270/Q2XG9VH9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50520471
PNG
(CHEMBL4592669)
Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1
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UniChem
Article
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23n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay


J Med Chem 63: 1671-1683 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01818
BindingDB Entry DOI: 10.7270/Q2XG9VH9
More data for this
Ligand-Target Pair