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12 similar compounds to monomer 50034082

Compile data set for download or QSAR
Wt: 308.3
BDBM50034110Purchase		Wt: 294.3
BDBM50085970Purchase		Wt: 442.5
BDBM50097024		Wt: 343.4
BDBM50034103		Wt: 413.8
BDBM50034087
Wt: 345.8
BDBM50034084		Wt: 359.8
BDBM50034086		Wt: 363.8
BDBM50034088Purchase		Wt: 367.5
BDBM50034093		Wt: 325.4
BDBM50034095
Wt: 299.3
BDBM50034096		Wt: 329.3
BDBM50034104

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50034110,50085970,50097024,50034103,50034087,50034084,50034086,50034088,50034093,50034095,50034096,50034104   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand

J Med Chem 40: 2003-10 (1997)


Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand

J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0200n/an/an/an/an/an/an/an/a



Universit&aagrove; degli Studi di Milano

Curated by PDSP Ki Database




Br J Pharmacol 124: 485-92 (1998)


Article DOI: 10.1038/sj.bjp.0701860
BindingDB Entry DOI: 10.7270/Q29885KW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0300n/an/an/an/an/an/an/an/a



Universit&agrove; degli Studi di Milano

Curated by PDSP Ki Database




Br J Pharmacol 127: 1288-94 (1999)


Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0570n/an/an/an/an/an/an/an/a



University of Urbino

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka

J Med Chem 36: 4069-74 (1993)


Article DOI: 10.1021/jm00077a010
BindingDB Entry DOI: 10.7270/Q2KP84VP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1C


(Gallus gallus)		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.0596n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity in chicken brain membranes by using [2-125I]melatonin in a competition radioligand binding assay

J Med Chem 38: 1132-9 (1995)


Article DOI: 10.1021/jm00007a010
BindingDB Entry DOI: 10.7270/Q2HM5C6M
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.150n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.160n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.210n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 92: 8734-8 (1995)


Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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 0.260n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 92: 8734-8 (1995)


Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034088
PNG
(CHEMBL3359237)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3
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 1.10n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034086
PNG
(CHEMBL3359234)
Show SMILES Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C20H26ClN3O/c1-15-7-9-17(10-8-15)19-22-16(2)18(21)20(23-19)25-14-6-13-24-11-4-3-5-12-24/h7-10H,3-6,11-14H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034084
PNG
(CHEMBL3359220)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Show InChI InChI=1S/C19H24ClN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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 2.30n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034087
PNG
(CHEMBL3359236)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23ClF3N3O/c1-14-17(21)19(28-13-5-12-27-10-3-2-4-11-27)26-18(25-14)15-6-8-16(9-7-15)20(22,23)24/h6-9H,2-5,10-13H2,1H3
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 4.40n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034095
PNG
(CHEMBL3358641)
Show SMILES CC1CCN(CCCOc2cc(C)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C20H27N3O/c1-16-9-12-23(13-10-16)11-6-14-24-19-15-17(2)21-20(22-19)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 6 receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectromet...

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor

J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5 Hydroxy tryptamine 6 receptor

Bioorg Med Chem Lett 15: 1707-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.031
BindingDB Entry DOI: 10.7270/Q2D21ZBG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 20n/an/an/an/an/an/a7.4n/a



Virginia Commonwealth University



Assay Description
The h5-HT6 radioligand binding assays were performed as previously described. In brief, h5-HT6 cDNA was transiently expressed in HEK-293 cells using...

Medicinal Chemistry Research 14: 1-18 (2005)


Article DOI: 10.1007/s00044-004-0121-8
BindingDB Entry DOI: 10.7270/Q2NG4P78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 50n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor

J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 54n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor expressed in HEK 293 human embryonic kidney cells, [3H]-lysergic acid diethylamide as radio...

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 155n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 7 receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034093
PNG
(CHEMBL3358643)
Show SMILES Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(n1)-c1ccccc1
Show InChI InChI=1S/C23H33N3O/c1-18-17-20(25-21(24-18)19-11-7-6-8-12-19)27-16-10-15-26-22(2,3)13-9-14-23(26,4)5/h6-8,11-12,17H,9-10,13-16H2,1-5H3
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 377n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034103
PNG
(CHEMBL3358639)
Show SMILES Cc1cc(OCCOCCN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O3/c1-16-15-18(21-19(20-16)17-5-3-2-4-6-17)25-14-13-24-12-9-22-7-10-23-11-8-22/h2-6,15H,7-14H2,1H3
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 422n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 470n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2A receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034104
PNG
(CHEMBL3352879)
Show SMILES Cc1cc(OCC(O)CN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-14-11-17(20-18(19-14)15-5-3-2-4-6-15)24-13-16(22)12-21-7-9-23-10-8-21/h2-6,11,16,22H,7-10,12-13H2,1H3
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 486n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 675n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2C receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 1.47E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human human 5-hydroxytryptamine 1A receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50034096
PNG
(CHEMBL3358633)
Show SMILES Cc1cc(OCCN2CCOCC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O2/c1-14-13-16(22-12-9-20-7-10-21-11-8-20)19-17(18-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 4.70E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human serotonin transporter

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 5.16E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 5A receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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 6.23E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1E receptor

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50085970
PNG
(CHEMBL7318 | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human NET(norepinephrine) transporter

J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50034086
PNG
(CHEMBL3359234)
Show SMILES Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Show InChI InChI=1S/C20H26ClN3O/c1-15-7-9-17(10-8-15)19-22-16(2)18(21)20(23-19)25-14-6-13-24-11-4-3-5-12-24/h7-10H,3-6,11-14H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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n/an/a 0.0620n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand

J Med Chem 40: 2003-10 (1997)


Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50034084
PNG
(CHEMBL3359220)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Show InChI InChI=1S/C19H24ClN3O/c1-15-17(20)19(22-18(21-15)16-9-4-2-5-10-16)24-14-8-13-23-11-6-3-7-12-23/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50097024
PNG
(4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-methoxy-1H-indo...)
Show SMILES COc1ccc2[nH]c(c(CCNCCCCc3ccc(O)cc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C29H34N2O2/c1-20-16-21(2)18-23(17-20)29-26(27-19-25(33-3)11-12-28(27)31-29)13-15-30-14-5-4-6-22-7-9-24(32)10-8-22/h7-12,16-19,30-32H,4-6,13-15H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat Gonadotropin-releasing hormone receptor.

Bioorg Med Chem Lett 11: 515-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00708-3
BindingDB Entry DOI: 10.7270/Q27080PS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))		BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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n/an/a 0.0620n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand

J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50034087
PNG
(CHEMBL3359236)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23ClF3N3O/c1-14-17(21)19(28-13-5-12-27-10-3-2-4-11-27)26-18(25-14)15-6-8-16(9-7-15)20(22,23)24/h6-9H,2-5,10-13H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50034088
PNG
(CHEMBL3359237)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3
PDB
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique

J Med Chem 57: 10404-23 (2014)


Article DOI: 10.1021/jm501207r
BindingDB Entry DOI: 10.7270/Q2XD138B
More data for this
Ligand-Target Pair