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Compile Data Set for Download or QSAR

Found 387 hits with Last Name = 'lodola' and Initial = 'a'   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50117886
PNG
(CHEMBL3612603)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)
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0.0300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263700
PNG
(CHEMBL4083618)
Show SMILES CCC(=O)NC[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
Show InChI InChI=1/C20H23NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11,17,20H,2,12-14H2,1H3,(H,21,22)/t17-,20+/s2
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0.220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263699
PNG
(CHEMBL4061850)
Show SMILES CCC(=O)NC[C@@H]1CCc2ccccc2[C@H]1c1ccccc1
Show InChI InChI=1/C20H23NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11,17,20H,2,12-14H2,1H3,(H,21,22)/t17-,20-/s2
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0.230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419598
PNG
(CHEMBL1934049)
Show SMILES C[C@H]1CCCN1Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/s2
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0.372n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263730
PNG
(CHEMBL4068887)
Show SMILES CCC(=O)NC[C@@H]1CN(C)c2ccccc2[C@@H]1c1ccccc1
Show InChI InChI=1/C20H24N2O/c1-3-19(23)21-13-16-14-22(2)18-12-8-7-11-17(18)20(16)15-9-5-4-6-10-15/h4-12,16,20H,3,13-14H2,1-2H3,(H,21,23)/t16-,20-/s2
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0.480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419584
PNG
(CHEMBL1934062)
Show SMILES C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33+/s2
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0.513n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419598
PNG
(CHEMBL1934049)
Show SMILES C[C@H]1CCCN1Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/s2
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0.661n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117899
PNG
(CHEMBL3612604)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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0.780n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419595
PNG
(CHEMBL1934061)
Show SMILES COCCC[C@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2O/c1-23-8-6-20-30(23)28(9-7-21-31-2)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-29-18-4-3-5-19-29/h10-17,23,28H,3-9,18-22H2,1-2H3/t23-,28-/s2
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0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263731
PNG
(CHEMBL4084568)
Show SMILES CC(=O)NCC1CN(Cc2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H22N2O/c1-15(22)20-12-17-11-18-9-5-6-10-19(18)21(14-17)13-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,20,22)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263727
PNG
(CHEMBL4064626)
Show SMILES CCN1CC(CNC(C)=O)Cc2ccccc12
Show InChI InChI=1/C14H20N2O/c1-3-16-10-12(9-15-11(2)17)8-13-6-4-5-7-14(13)16/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419582
PNG
(CHEMBL1934064)
Show SMILES COc1ccc(OCCC[C@@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34+/s2
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419588
PNG
(CHEMBL1934057)
Show SMILES CCCC[C@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28-/s2
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419597
PNG
(CHEMBL1934053)
Show SMILES CCCCC(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-2-3-10-28(30-21-8-5-9-22-30)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-29-19-6-4-7-20-29/h11-18,28H,2-10,19-23H2,1H3
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1.29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419588
PNG
(CHEMBL1934057)
Show SMILES CCCC[C@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28-/s2
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1.41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419593
PNG
(CHEMBL1934048)
Show SMILES C[C@@H]1CCCN1Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/s2
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1.48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419585
PNG
(CHEMBL1934060)
Show SMILES COCCC[C@@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2O/c1-23-8-6-20-30(23)28(9-7-21-31-2)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-29-18-4-3-5-19-29/h10-17,23,28H,3-9,18-22H2,1-2H3/t23-,28+/s2
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1.48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419596
PNG
(CHEMBL1934056)
Show SMILES CCCC[C@@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28+/s2
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1.55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239399
PNG
(CHEMBL4069027)
Show SMILES C[C@@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H21N7O/c1-13-7-4-5-10-17(13)30-21(28-16-9-6-8-14(2)18(16)23(30)31)15(3)29-12-27-19-20(24)25-11-26-22(19)29/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/s2
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using P...


J Med Chem 60: 4304-4315 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00247
BindingDB Entry DOI: 10.7270/Q2V40XBD
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117907
PNG
(CHEMBL3612608)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1c1ccccc1
Show InChI InChI=1/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419595
PNG
(CHEMBL1934061)
Show SMILES COCCC[C@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2O/c1-23-8-6-20-30(23)28(9-7-21-31-2)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-29-18-4-3-5-19-29/h10-17,23,28H,3-9,18-22H2,1-2H3/t23-,28-/s2
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1.78n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419585
PNG
(CHEMBL1934060)
Show SMILES COCCC[C@@H](N1CCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2O/c1-23-8-6-20-30(23)28(9-7-21-31-2)27-16-14-26(15-17-27)25-12-10-24(11-13-25)22-29-18-4-3-5-19-29/h10-17,23,28H,3-9,18-22H2,1-2H3/t23-,28+/s2
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263691
PNG
(CHEMBL4064813)
Show SMILES CCC(=O)NC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-2-18(21)19-15-12-14-8-6-7-11-17(14)20(13-15)16-9-4-3-5-10-16/h3-11,15H,2,12-13H2,1H3,(H,19,21)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419581
PNG
(CHEMBL1934065)
Show SMILES COc1ccc(OCCC[C@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34-/s2
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2.04n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419581
PNG
(CHEMBL1934065)
Show SMILES COc1ccc(OCCC[C@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34-/s2
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2.09n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419579
PNG
(CHEMBL1934054)
Show SMILES CCCC[C@H](N1CCC[C@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28+/s2
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2.34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419586
PNG
(CHEMBL1934059)
Show SMILES CCCC[C@H](N1CCCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C29H42N2/c1-3-4-11-29(31-22-9-6-10-24(31)2)28-18-16-27(17-19-28)26-14-12-25(13-15-26)23-30-20-7-5-8-21-30/h12-19,24,29H,3-11,20-23H2,1-2H3/t24-,29-/s2
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2.45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419589
PNG
(CHEMBL1934055)
Show SMILES CCCC[C@@H](N1CCC[C@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-3-4-10-28(30-21-8-9-23(30)2)27-17-15-26(16-18-27)25-13-11-24(12-14-25)22-29-19-6-5-7-20-29/h11-18,23,28H,3-10,19-22H2,1-2H3/t23-,28-/s2
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2.45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419583
PNG
(CHEMBL1934063)
Show SMILES C[C@H]1CCCN1[C@@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33-/s2
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2.57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263729
PNG
(CHEMBL4074273)
Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1
Show InChI InChI=1/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419587
PNG
(CHEMBL1934058)
Show SMILES CCCC[C@@H](N1CCCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C29H42N2/c1-3-4-11-29(31-22-9-6-10-24(31)2)28-18-16-27(17-19-28)26-14-12-25(13-15-26)23-30-20-7-5-8-21-30/h12-19,24,29H,3-11,20-23H2,1-2H3/t24-,29+/s2
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3.02n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239399
PNG
(CHEMBL4069027)
Show SMILES C[C@@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H21N7O/c1-13-7-4-5-10-17(13)30-21(28-16-9-6-8-14(2)18(16)23(30)31)15(3)29-12-27-19-20(24)25-11-26-22(19)29/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/s2
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using P...


J Med Chem 60: 4304-4315 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00247
BindingDB Entry DOI: 10.7270/Q2V40XBD
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263730
PNG
(CHEMBL4068887)
Show SMILES CCC(=O)NC[C@@H]1CN(C)c2ccccc2[C@@H]1c1ccccc1
Show InChI InChI=1/C20H24N2O/c1-3-19(23)21-13-16-14-22(2)18-12-8-7-11-17(18)20(16)15-9-5-4-6-10-15/h4-12,16,20H,3,13-14H2,1-2H3,(H,21,23)/t16-,20-/s2
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263700
PNG
(CHEMBL4083618)
Show SMILES CCC(=O)NC[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
Show InChI InChI=1/C20H23NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11,17,20H,2,12-14H2,1H3,(H,21,22)/t17-,20+/s2
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419593
PNG
(CHEMBL1934048)
Show SMILES C[C@@H]1CCCN1Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C24H32N2/c1-20-6-5-17-26(20)19-22-9-13-24(14-10-22)23-11-7-21(8-12-23)18-25-15-3-2-4-16-25/h7-14,20H,2-6,15-19H2,1H3/t20-/s2
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3.55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263732
PNG
(CHEMBL4087265)
Show SMILES CCC(=O)NCC1=C(c2ccccc2)c2ccccc2CC1
Show InChI InChI=1S/C20H21NO/c1-2-19(22)21-14-17-13-12-15-8-6-7-11-18(15)20(17)16-9-4-3-5-10-16/h3-11H,2,12-14H2,1H3,(H,21,22)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419597
PNG
(CHEMBL1934053)
Show SMILES CCCCC(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C28H40N2/c1-2-3-10-28(30-21-8-5-9-22-30)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-29-19-6-4-7-20-29/h11-18,28H,2-10,19-23H2,1H3
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4.27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419583
PNG
(CHEMBL1934063)
Show SMILES C[C@H]1CCCN1[C@@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33-/s2
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4.68n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117879
PNG
(CHEMBL3612461)
Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1/C15H23N3O2/c1-4-16-15(19)17-10-11-8-9-12-13(18(11)2)6-5-7-14(12)20-3/h5-7,11H,4,8-10H2,1-3H3,(H2,16,17,19)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117880
PNG
(CHEMBL3612462)
Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1/C14H21N3O/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419590
PNG
(CHEMBL1934052)
Show SMILES C[C@@H]1CCCN1Cc1ccc(cc1)-c1ccc(cc1)C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1/C31H38N2/c1-25-9-8-22-33(25)24-27-12-14-28(15-13-27)29-16-18-30(19-17-29)31(32-20-6-3-7-21-32)23-26-10-4-2-5-11-26/h2,4-5,10-19,25,31H,3,6-9,20-24H2,1H3/t25-,31?/s2
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5.62n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117902
PNG
(CHEMBL3612606)
Show SMILES CCCN1C(CNC(C)=O)CCc2ccccc12
Show InChI InChI=1/C15H22N2O/c1-3-10-17-14(11-16-12(2)18)9-8-13-6-4-5-7-15(13)17/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins


J Med Chem 58: 7512-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01066
BindingDB Entry DOI: 10.7270/Q20R9R6D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263692
PNG
(CHEMBL4105125)
Show SMILES CCC(=O)NC1CN(Cc2ccccc2)c2ccccc2C1
Show InChI InChI=1/C19H22N2O/c1-2-19(22)20-17-12-16-10-6-7-11-18(16)21(14-17)13-15-8-4-3-5-9-15/h3-11,17H,2,12-14H2,1H3,(H,20,22)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method


J Med Chem 61: 3726-3737 (2018)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419582
PNG
(CHEMBL1934064)
Show SMILES COc1ccc(OCCC[C@@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34+/s2
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6.61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419584
PNG
(CHEMBL1934062)
Show SMILES C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33+/s2
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6.61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
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