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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Melatonin' AND taxid = 9986   
Target
(Institution)
LigandTarget
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


(RABBIT)
BDBM85054
PNG
(1-[3-(5-Methoxy-1H-indol-3-yl)piperidino]ethanone ...)
Show SMILES COc1ccc2[nH]cc(C3CCCN(C3)C(C)=O)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3
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0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
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0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.140n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.270n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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0.300n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50045843
PNG
(8-M-PDOT | CHEMBL99377 | N-(8-Methoxy-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-11-8-7-10-5-4-6-13(17-2)12(10)9-11/h4-6,11H,3,7-9H2,1-2H3,(H,15,16)
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0.350n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.370n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85060
PNG
(4-P-CADOT)
Show SMILES CC(=O)NC1(Cl)CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H18ClNO/c1-13(21)20-18(19)11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3,(H,20,21)
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0.5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85063
PNG
(Melatonin,6-Cl)
Show SMILES CC(=O)NCCc1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C12H13ClN2O/c1-8(16)14-5-4-9-7-15-12-6-10(13)2-3-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
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0.830n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85055
PNG
(CAS_73-31-4 | Melatonin,6,7 di-cl-2-Me)
Show SMILES CC(=O)NCCc1c(C)[nH]c2c(Cl)c(Cl)ccc12
Show InChI InChI=1S/C13H14Cl2N2O/c1-7-9(5-6-16-8(2)18)10-3-4-11(14)12(15)13(10)17-7/h3-4,17H,5-6H2,1-2H3,(H,16,18)
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0.870n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85061
PNG
(CAS_73-31-4 | Melatonin,6-Cl-2-Me)
Show SMILES CC(=O)NCCc1c(C)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C13H15ClN2O/c1-8-11(5-6-15-9(2)17)12-4-3-10(14)7-13(12)16-8/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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1n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85058
PNG
(4-P-ADOT | 4-phenyl-2-acetamidotetraline)
Show SMILES CC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H19NO/c1-13(20)19-16-11-15-9-5-6-10-17(15)18(12-16)14-7-3-2-4-8-14/h2-10,16,18H,11-12H2,1H3,(H,19,20)
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1.60n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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2.5n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85054
PNG
(1-[3-(5-Methoxy-1H-indol-3-yl)piperidino]ethanone ...)
Show SMILES COc1ccc2[nH]cc(C3CCCN(C3)C(C)=O)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85053
PNG
(1-[2-(5-Methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-o...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3=O)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(9-12)11(10-16-14)6-8-17-7-2-3-15(17)18/h4-5,9-10,16H,2-3,6-8H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85056
PNG
(8-M-CADOT)
Show SMILES COc1cccc2CCC(Cl)(Cc12)NC(C)=O
Show InChI InChI=1S/C13H16ClNO2/c1-9(16)15-13(14)7-6-10-4-3-5-12(17-2)11(10)8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
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3.30n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
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3.5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
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3.5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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4n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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6.30n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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6.90n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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9n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85062
PNG
(Luzindole,N-propanoyl | N 0889 | N-0889 | N-[2-(2-...)
Show SMILES CCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
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15.8n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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20n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85057
PNG
(N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...)
Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)
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20n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50035176
PNG
(8-M-ADOT | CHEMBL53015 | N-(8-Methoxy-1,2,3,4-tetr...)
Show SMILES COc1cccc2CCC(Cc12)NC(C)=O
Show InChI InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)
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20.1n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85060
PNG
(4-P-CADOT)
Show SMILES CC(=O)NC1(Cl)CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H18ClNO/c1-13(21)20-18(19)11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3,(H,20,21)
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20.5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50066958
PNG
(CHEMBL33099 | Melatonin,6-Methoxy | N-[2-(6-Methox...)
Show SMILES COc1ccc2c(CCNC(C)=O)c[nH]c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-7-11(17-2)3-4-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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23.7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85059
PNG
(N 0890 | N-0890 | N-[2-[2-(4-Methoxybenzyl)-1H-ind...)
Show SMILES COc1ccc(Cc2[nH]c3ccccc3c2CCNC(C)=O)cc1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-12-11-18-17-5-3-4-6-19(17)22-20(18)13-15-7-9-16(24-2)10-8-15/h3-10,22H,11-13H2,1-2H3,(H,21,23)
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31.6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50240440
PNG
(4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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45.3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85053
PNG
(1-[2-(5-Methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-o...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3=O)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(9-12)11(10-16-14)6-8-17-7-2-3-15(17)18/h4-5,9-10,16H,2-3,6-8H2,1H3
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58n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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PubMed
74n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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84.7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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85n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85057
PNG
(N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...)
Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)
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264n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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273n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85062
PNG
(Luzindole,N-propanoyl | N 0889 | N-0889 | N-[2-(2-...)
Show SMILES CCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
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280n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85059
PNG
(N 0890 | N-0890 | N-[2-[2-(4-Methoxybenzyl)-1H-ind...)
Show SMILES COc1ccc(Cc2[nH]c3ccccc3c2CCNC(C)=O)cc1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-12-11-18-17-5-3-4-6-19(17)22-20(18)13-15-7-9-16(24-2)10-8-15/h3-10,22H,11-13H2,1-2H3,(H,21,23)
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304n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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435n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM82556
PNG
(melatonin, 6-Methoxy)
Show SMILES COc1cc2[nH]cc(CCNC(C)=O)c2cc1OC
Show InChI InChI=1S/C14H18N2O3/c1-9(17)15-5-4-10-8-16-12-7-14(19-3)13(18-2)6-11(10)12/h6-8,16H,4-5H2,1-3H3,(H,15,17)
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460n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50047013
PNG
(2-(5-Methoxy-1H-indol-3-yl)-ethanol (5-methoxytryp...)
Show SMILES COc1ccc2[nH]cc(CCO)c2c1
Show InChI InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
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2.95E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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3.00E+3n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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4.60E+3n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)

More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50047013
PNG
(2-(5-Methoxy-1H-indol-3-yl)-ethanol (5-methoxytryp...)
Show SMILES COc1ccc2[nH]cc(CCO)c2c1
Show InChI InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)

More data for this
Ligand-Target Pair