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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Melatonin 1C' AND taxid = 8356   
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 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)

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

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

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)

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

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

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)

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

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

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

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

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)

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

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair