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3 similar compounds to monomer 50165203

Compile data set for download or QSAR
Wt: 491.1
BDBM50258288
Wt: 279.7
BDBM50027453
Wt: 342.2
BDBM50165209

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50258288,50027453,50165209   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50027453
PNG
(CHEMBL3329389)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C(C)=O
Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3
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PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting


Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50027453
PNG
(CHEMBL3329389)
Show SMILES COc1cc2C3C(Cc2cc1Cl)CCCN3C(C)=O
Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting


Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50165209
PNG
(CHEMBL3798450)
Show SMILES [O-][N+](=O)c1cc(NC(=S)Nc2ccccc2Cl)ccc1Cl
Show InChI InChI=1S/C13H9Cl2N3O2S/c14-9-3-1-2-4-11(9)17-13(21)16-8-5-6-10(15)12(7-8)18(19)20/h1-7H,(H2,16,17,21)
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DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins


Eur J Med Chem 116: 173-186 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.073
BindingDB Entry DOI: 10.7270/Q22B90X6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50165209
PNG
(CHEMBL3798450)
Show SMILES [O-][N+](=O)c1cc(NC(=S)Nc2ccccc2Cl)ccc1Cl
Show InChI InChI=1S/C13H9Cl2N3O2S/c14-9-3-1-2-4-11(9)17-13(21)16-8-5-6-10(15)12(7-8)18(19)20/h1-7H,(H2,16,17,21)
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UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins


Eur J Med Chem 116: 173-186 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.073
BindingDB Entry DOI: 10.7270/Q22B90X6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50258288
PNG
(9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
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Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...


Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair