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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50236754   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 2; Partial agonist


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
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616n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H] 7-OH DPAT from recombinant rat dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
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619n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3
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2.57E+3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H] MK-912 from human adrenergic alpha 2A receptor expressed in HT29 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair