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Compile Data Set for Download or QSAR

Found 13 hits of ki for monomerid = 50383522   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5HT2C receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5HT2A receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to norepinephrine transporter


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2A receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2C receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to opioid mu receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5HT1A receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair