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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'Melatonin 1C'   
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 1C


(Xenopus)
BDBM50423058
PNG
(CHEMBL244471)
Show SMILES O=C(NCCc1cn2CCCc3cccc1c23)C1CC1
Show InChI InChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20)
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n/an/a 282n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423056
PNG
(CHEMBL243002)
Show SMILES CC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C20H26N2O/c1-15(23)21-14-20(10-3-2-4-11-20)18-13-22-12-6-8-16-7-5-9-17(18)19(16)22/h5,7,9,13H,2-4,6,8,10-12,14H2,1H3,(H,21,23)
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423059
PNG
(CHEMBL244472)
Show SMILES CCCC(=O)NCCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423057
PNG
(CHEMBL242573)
Show SMILES O=C(NCCCc1cn2CCCc3cccc1c23)C1CC1
Show InChI InChI=1S/C18H22N2O/c21-18(14-8-9-14)19-10-2-5-15-12-20-11-3-6-13-4-1-7-16(15)17(13)20/h1,4,7,12,14H,2-3,5-6,8-11H2,(H,19,21)
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423062
PNG
(CHEMBL242786)
Show SMILES O=C(NCCCc1cn2CCCc3cccc1c23)C1CCC1
Show InChI InChI=1S/C19H24N2O/c22-19(15-6-1-7-15)20-11-3-8-16-13-21-12-4-9-14-5-2-10-17(16)18(14)21/h2,5,10,13,15H,1,3-4,6-9,11-12H2,(H,20,22)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423063
PNG
(CHEMBL396501)
Show SMILES CCCC(=O)NCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C17H22N2O/c1-2-5-16(20)18-10-9-14-12-19-11-4-7-13-6-3-8-15(14)17(13)19/h3,6,8,12H,2,4-5,7,9-11H2,1H3,(H,18,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423061
PNG
(CHEMBL243003)
Show SMILES CCCC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)
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n/an/a 2.04E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423055
PNG
(CHEMBL244957)
Show SMILES CCC(=O)NCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C16H20N2O/c1-2-15(19)17-9-8-13-11-18-10-4-6-12-5-3-7-14(13)16(12)18/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,17,19)
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n/an/a 2.19E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423064
PNG
(CHEMBL244263)
Show SMILES CCC(=O)NCCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C17H22N2O/c1-2-16(20)18-10-4-7-14-12-19-11-5-8-13-6-3-9-15(14)17(13)19/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,18,20)
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n/an/a 4.68E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423060
PNG
(CHEMBL241928)
Show SMILES CC(=O)NCCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C16H20N2O/c1-12(19)17-9-3-6-14-11-18-10-4-7-13-5-2-8-15(14)16(13)18/h2,5,8,11H,3-4,6-7,9-10H2,1H3,(H,17,19)
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n/an/a 5.13E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50423065
PNG
(CHEMBL242806)
Show SMILES CC(=O)NCCc1cn2CCCc3cccc1c23
Show InChI InChI=1S/C15H18N2O/c1-11(18)16-8-7-13-10-17-9-3-5-12-4-2-6-14(13)15(12)17/h2,4,6,10H,3,5,7-9H2,1H3,(H,16,18)
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n/an/a 6.17E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50411361
PNG
(CHEMBL396991)
Show SMILES CC(=O)NCC(C)(C)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C17H22N2O/c1-12(20)18-11-17(2,3)15-10-19-9-5-7-13-6-4-8-14(15)16(13)19/h4,6,8,10H,5,7,9,11H2,1-3H3,(H,18,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
BindingDB Entry DOI: 10.7270/Q2B859BK
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.660n/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 1C


(Xenopus)
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.660n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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1.25n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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1.27n/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 1C


(Xenopus)
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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1.86n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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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1.87n/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 1C


(Xenopus)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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57.4n/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 1C


(Xenopus)
BDBM85240
PNG
(5-MeOT-N-pentanyl)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)
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57.5n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85237
PNG
(5-MeOT-N-hexanyl)
Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)
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1.36E+3n/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 1C


(Xenopus)
BDBM85383
PNG
(Luzindole,5-MeOT-N-hexanyl)
Show SMILES CCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-11-24(27)25-15-14-20-21-17-19(28-2)12-13-22(21)26-23(20)16-18-9-7-5-8-10-18/h5,7-10,12-13,17,26H,3-4,6,11,14-16H2,1-2H3,(H,25,27)
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1.38E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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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2.04E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85384
PNG
(Luzindole,N-pentanoyl)
Show SMILES CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
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2.14E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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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3.16E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85382
PNG
(Luzindole,N-butanoyl)
Show SMILES CCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-2-8-21(24)22-14-13-18-17-11-6-7-12-19(17)23-20(18)15-16-9-4-3-5-10-16/h3-7,9-12,23H,2,8,13-15H2,1H3,(H,22,24)
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3.80E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85385
PNG
(Luzindole,N-hexanoyl)
Show SMILES CCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26)
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5.75E+3n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476614
PNG
(CHEMBL392421)
Show SMILES COc1cc(C)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10-7-13(19-4)8-14-12(5-6-16-11(2)18)9-17(3)15(10)14/h7-9H,5-6H2,1-4H3,(H,16,18)
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n/an/an/an/a 9.80n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476617
PNG
(CHEMBL391350)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-4-5-15(19)17-7-6-12-10-18-16-11(2)8-13(20-3)9-14(12)16/h8-10,18H,4-7H2,1-3H3,(H,17,19)
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n/an/an/an/a 13n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476611
PNG
(CHEMBL233729)
Show SMILES CCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C14H17BrN2O2/c1-3-13(18)16-5-4-9-8-17-14-11(9)6-10(19-2)7-12(14)15/h6-8,17H,3-5H2,1-2H3,(H,16,18)
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n/an/an/an/a 11n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476620
PNG
(CHEMBL231872)
Show SMILES COc1cc(C)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-9-6-12(18-3)7-13-11(8-16-14(9)13)4-5-15-10(2)17/h6-8,16H,4-5H2,1-3H3,(H,15,17)
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n/an/an/an/a 46n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476619
PNG
(CHEMBL394406)
Show SMILES CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C16H21BrN2O2/c1-4-5-15(20)18-7-6-11-10-19(2)16-13(11)8-12(21-3)9-14(16)17/h8-10H,4-7H2,1-3H3,(H,18,20)
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n/an/an/an/a 52n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476622
PNG
(CHEMBL233517)
Show SMILES CCC(=O)NCCc1c[nH]c2c(cc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-19(23)21-10-9-15-13-22-20-17(14-7-5-4-6-8-14)11-16(24-2)12-18(15)20/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,21,23)
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n/an/an/an/a 155n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476624
PNG
(CHEMBL233516)
Show SMILES CCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-5-15(19)17-7-6-12-10-18(3)16-11(2)8-13(20-4)9-14(12)16/h8-10H,5-7H2,1-4H3,(H,17,19)
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n/an/an/an/a 16n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476626
PNG
(CHEMBL395221)
Show SMILES CCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12
Show InChI InChI=1S/C15H20N2O2/c1-4-14(18)16-6-5-11-9-17-15-10(2)7-12(19-3)8-13(11)15/h7-9,17H,4-6H2,1-3H3,(H,16,18)
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n/an/an/an/a 32n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476627
PNG
(CHEMBL233308)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C15H19BrN2O2/c1-3-4-14(19)17-6-5-10-9-18-15-12(10)7-11(20-2)8-13(15)16/h7-9,18H,3-6H2,1-2H3,(H,17,19)
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n/an/an/an/a 3.5n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476625
PNG
(CHEMBL233740)
Show SMILES COc1cc(-c2ccccc2)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-10-9-16-13-22(2)20-18(15-7-5-4-6-8-15)11-17(24-3)12-19(16)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,23)
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n/an/an/an/a 339n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476621
PNG
(CHEMBL394408)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(cc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C21H24N2O2/c1-3-7-20(24)22-11-10-16-14-23-21-18(15-8-5-4-6-9-15)12-17(25-2)13-19(16)21/h4-6,8-9,12-14,23H,3,7,10-11H2,1-2H3,(H,22,24)
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n/an/an/an/a 46n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476616
PNG
(CHEMBL233311)
Show SMILES COc1cc(-c2ccccc2)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-9-8-15-12-21-19-17(14-6-4-3-5-7-14)10-16(23-2)11-18(15)19/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
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n/an/an/an/a 120n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476628
PNG
(CHEMBL392422)
Show SMILES CCCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-5-6-16(20)18-8-7-13-11-19(3)17-12(2)9-14(21-4)10-15(13)17/h9-11H,5-8H2,1-4H3,(H,18,20)
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n/an/an/an/a 17n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476615
PNG
(CHEMBL233310)
Show SMILES CCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C15H19BrN2O2/c1-4-14(19)17-6-5-10-9-18(2)15-12(10)7-11(20-3)8-13(15)16/h7-9H,4-6H2,1-3H3,(H,17,19)
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n/an/an/an/a 65n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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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n/an/an/an/a 0.0794n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476612
PNG
(CHEMBL233728)
Show SMILES COc1cc(Br)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-4-3-9-7-16-13-11(9)5-10(18-2)6-12(13)14/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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n/an/an/an/a 3.30n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM50476613
PNG
(CHEMBL233309)
Show SMILES COc1cc(Br)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17BrN2O2/c1-9(18)16-5-4-10-8-17(2)14-12(10)6-11(19-3)7-13(14)15/h6-8H,4-5H2,1-3H3,(H,16,18)
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n/an/an/an/a 25n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)

More data for this
Ligand-Target Pair