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Found 23 hits Enz. Inhib. hit(s) with Target = 'Serotonin N-acetyltransferase' AND taxid = 9940   
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
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101694
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C36H53N8O17P3S/c1-21(25(45)10-6-7-22-15-40-24-9-5-4-8-23(22)24)17-65-14-13-38-27(46)11-12-39-34(49)31(48)36(2,3)18-58-64(55,56)61-63(53,54)57-16-26-30(60-62(50,51)52)29(47)35(59-26)44-20-43-28-32(37)41-19-42-33(28)44/h4-5,8-9,15,19-21,26,29-31,35,40,47-48H,6-7,10-14,16-18H2,1-3H3,(H,38,46)(H,39,49)(H,53,54)(H,55,56)(H2,37,41,42)(H2,50,51,52)/p-2
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6n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101699
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC1CCCC1C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C38H55N8O17P3S/c1-38(2,19-60-66(57,58)63-65(55,56)59-18-27-32(62-64(52,53)54)31(49)37(61-27)46-21-45-30-34(39)43-20-44-35(30)46)33(50)36(51)41-14-13-29(48)40-15-16-67-28-12-6-9-24(28)26(47)11-5-7-22-17-42-25-10-4-3-8-23(22)25/h3-4,8,10,17,20-21,24,27-28,31-33,37,42,49-50H,5-7,9,11-16,18-19H2,1-2H3,(H,40,48)(H,41,51)(H,55,56)(H,57,58)(H2,39,43,44)(H2,52,53,54)/p-2
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7n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101705
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CCC(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H55N8O17P3S/c1-4-22(26(46)11-7-8-23-16-41-25-10-6-5-9-24(23)25)18-66-15-14-39-28(47)12-13-40-35(50)32(49)37(2,3)19-59-65(56,57)62-64(54,55)58-17-27-31(61-63(51,52)53)30(48)36(60-27)45-21-44-29-33(38)42-20-43-34(29)45/h5-6,9-10,16,20-22,27,30-32,36,41,48-49H,4,7-8,11-15,17-19H2,1-3H3,(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,38,42,43)(H2,51,52,53)/p-2
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21n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101697
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H51N8O17P3S/c1-35(2,30(47)33(48)38-12-10-26(45)37-13-15-64-14-11-22(44)7-5-6-21-16-39-24-9-4-3-8-23(21)24)18-57-63(54,55)60-62(52,53)56-17-25-29(59-61(49,50)51)28(46)34(58-25)43-20-42-27-31(36)40-19-41-32(27)43/h3-4,8-9,16,19-20,25,28-30,34,39,46-47H,5-7,10-15,17-18H2,1-2H3,(H,37,45)(H,38,48)(H,52,53)(H,54,55)(H2,36,40,41)(H2,49,50,51)/p-2
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32n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101695
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50)/p-2
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48n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101700
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(CC(=O)CCCc1c[nH]c2ccccc12)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C36H53N8O17P3S/c1-21(15-23(45)8-6-7-22-16-40-25-10-5-4-9-24(22)25)65-14-13-38-27(46)11-12-39-34(49)31(48)36(2,3)18-58-64(55,56)61-63(53,54)57-17-26-30(60-62(50,51)52)29(47)35(59-26)44-20-43-28-32(37)41-19-42-33(28)44/h4-5,9-10,16,19-21,26,29-31,35,40,47-48H,6-8,11-15,17-18H2,1-3H3,(H,38,46)(H,39,49)(H,53,54)(H,55,56)(H2,37,41,42)(H2,50,51,52)/p-2
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52n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101706
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(C)C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H55N8O17P3S/c1-21(26(46)11-7-8-23-16-41-25-10-6-5-9-24(23)25)22(2)66-15-14-39-28(47)12-13-40-35(50)32(49)37(3,4)18-59-65(56,57)62-64(54,55)58-17-27-31(61-63(51,52)53)30(48)36(60-27)45-20-44-29-33(38)42-19-43-34(29)45/h5-6,9-10,16,19-22,27,30-32,36,41,48-49H,7-8,11-15,17-18H2,1-4H3,(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,38,42,43)(H2,51,52,53)/p-2
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59n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101699
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC1CCCC1C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C38H55N8O17P3S/c1-38(2,19-60-66(57,58)63-65(55,56)59-18-27-32(62-64(52,53)54)31(49)37(61-27)46-21-45-30-34(39)43-20-44-35(30)46)33(50)36(51)41-14-13-29(48)40-15-16-67-28-12-6-9-24(28)26(47)11-5-7-22-17-42-25-10-4-3-8-23(22)25/h3-4,8,10,17,20-21,24,27-28,31-33,37,42,49-50H,5-7,9,11-16,18-19H2,1-2H3,(H,40,48)(H,41,51)(H,55,56)(H,57,58)(H2,39,43,44)(H2,52,53,54)/p-2
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65n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101702
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H50N9O17P3S/c1-34(2,29(47)32(48)38-11-8-24(44)37-12-14-64-13-9-25(45)36-10-7-20-15-39-22-6-4-3-5-21(20)22)17-57-63(54,55)60-62(52,53)56-16-23-28(59-61(49,50)51)27(46)33(58-23)43-19-42-26-30(35)40-18-41-31(26)43/h3-6,15,18-19,23,27-29,33,39,46-47H,7-14,16-17H2,1-2H3,(H,36,45)(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,35,40,41)(H2,49,50,51)/p-2
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67n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101698
PNG
(Bisubstrate Analogue)
Show SMILES CC(C)(CC(=O)CCCc1c[nH]c2ccccc12)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C37H55N8O17P3S/c1-36(2,31(49)34(50)40-13-12-27(47)39-14-15-66-37(3,4)16-23(46)9-7-8-22-17-41-25-11-6-5-10-24(22)25)19-59-65(56,57)62-64(54,55)58-18-26-30(61-63(51,52)53)29(48)35(60-26)45-21-44-28-32(38)42-20-43-33(28)45/h5-6,10-11,17,20-21,26,29-31,35,41,48-49H,7-9,12-16,18-19H2,1-4H3,(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,38,42,43)(H2,51,52,53)/p-2
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275n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101693
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCS[C@@H]1CCCCC1C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C39H57N8O17P3S/c1-39(2,20-61-67(58,59)64-66(56,57)60-19-28-33(63-65(53,54)55)32(50)38(62-28)47-22-46-31-35(40)44-21-45-36(31)47)34(51)37(52)42-15-14-30(49)41-16-17-68-29-13-6-4-10-25(29)27(48)12-7-8-23-18-43-26-11-5-3-9-24(23)26/h3,5,9,11,18,21-22,25,28-29,32-34,38,43,50-51H,4,6-8,10,12-17,19-20H2,1-2H3,(H,41,49)(H,42,52)(H,56,57)(H,58,59)(H2,40,44,45)(H2,53,54,55)/p-2/t25?,28?,29-,32?,33?,34?,38?/m1/s1
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942n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101704
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H53N8O17P3S/c1-35(2,30(47)33(48)38-12-10-26(45)37-13-15-64-14-11-22(44)7-5-6-21-16-39-24-9-4-3-8-23(21)24)18-57-63(54,55)60-62(52,53)56-17-25-29(59-61(49,50)51)28(46)34(58-25)43-20-42-27-31(36)40-19-41-32(27)43/h3-4,8-9,16,19-20,22,25,28-30,34,39,44,46-47H,5-7,10-15,17-18H2,1-2H3,(H,37,45)(H,38,48)(H,52,53)(H,54,55)(H2,36,40,41)(H2,49,50,51)/p-2
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1.10E+3n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101701
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@H](O)C(=O)NCCC(=O)NCCSC=CC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H49N8O17P3S/c1-35(2,30(47)33(48)38-12-10-26(45)37-13-15-64-14-11-22(44)7-5-6-21-16-39-24-9-4-3-8-23(21)24)18-57-63(54,55)60-62(52,53)56-17-25-29(59-61(49,50)51)28(46)34(58-25)43-20-42-27-31(36)40-19-41-32(27)43/h3-4,8-9,11,14,16,19-20,25,28-30,34,39,46-47H,5-7,10,12-13,15,17-18H2,1-2H3,(H,37,45)(H,38,48)(H,52,53)(H,54,55)(H2,36,40,41)(H2,49,50,51)/p-2/t25?,28?,29?,30-,34?/m1/s1
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3.99E+4n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50101703
PNG
(Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-...)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC=CC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H49N8O17P3S/c1-35(2,30(47)33(48)38-12-10-26(45)37-13-15-64-14-11-22(44)7-5-6-21-16-39-24-9-4-3-8-23(21)24)18-57-63(54,55)60-62(52,53)56-17-25-29(59-61(49,50)51)28(46)34(58-25)43-20-42-27-31(36)40-19-41-32(27)43/h3-4,8-9,11,14,16,19-20,25,28-30,34,39,46-47H,5-7,10,12-13,15,17-18H2,1-2H3,(H,37,45)(H,38,48)(H,52,53)(H,54,55)(H2,36,40,41)(H2,49,50,51)/p-2
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7.12E+4n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of serotonin N-acetyl-transferase


J Med Chem 44: 2479-85 (2001)

More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224325
PNG
(6-(5-(1-acetyl-2-oxoindolin-3-yl)-4-oxo-2-thioxoth...)
Show SMILES CC(=O)n1c(O)c(-c2sc(=S)n(CCCCCC(O)=O)c2O)c2ccccc12
Show InChI InChI=1S/C19H20N2O5S2/c1-11(22)21-13-8-5-4-7-12(13)15(17(21)25)16-18(26)20(19(27)28-16)10-6-2-3-9-14(23)24/h4-5,7-8,25-26H,2-3,6,9-10H2,1H3,(H,23,24)
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PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by TLC-based radioactive assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224327
PNG
(6-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-yl)-4-oxo-...)
Show SMILES OC(=O)CCCCCn1c(O)c(sc1=S)C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H23FN2O4S2/c25-16-11-9-15(10-12-16)14-27-18-7-4-3-6-17(18)20(22(27)30)21-23(31)26(24(32)33-21)13-5-1-2-8-19(28)29/h3-4,6-7,9-12,20,31H,1-2,5,8,13-14H2,(H,28,29)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by TLC-based radioactive assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224329
PNG
(2-(4-oxo-5-(2-oxo-1-(2-oxo-2-(phenylamino)ethyl)in...)
Show SMILES Oc1c(sc(=S)n1CCS(O)(=O)=O)C1C(=O)N(CC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19N3O6S3/c25-16(22-13-6-2-1-3-7-13)12-24-15-9-5-4-8-14(15)17(19(24)26)18-20(27)23(21(31)32-18)10-11-33(28,29)30/h1-9,17,27H,10-12H2,(H,22,25)(H,28,29,30)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224330
PNG
(2-{5-[1-(4-methyl-benzyl)-2-oxo-2,3-dihydro-1H-ind...)
Show SMILES Cc1ccc(CN2C(=O)C(c3ccccc23)c2sc(=S)n(CCS(O)(=O)=O)c2O)cc1
Show InChI InChI=1S/C21H20N2O5S3/c1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)17(19(23)24)18-20(25)22(21(29)30-18)10-11-31(26,27)28/h2-9,17,25H,10-12H2,1H3,(H,26,27,28)
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n/an/a 2.52E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224325
PNG
(6-(5-(1-acetyl-2-oxoindolin-3-yl)-4-oxo-2-thioxoth...)
Show SMILES CC(=O)n1c(O)c(-c2sc(=S)n(CCCCCC(O)=O)c2O)c2ccccc12
Show InChI InChI=1S/C19H20N2O5S2/c1-11(22)21-13-8-5-4-7-12(13)15(17(21)25)16-18(26)20(19(27)28-16)10-6-2-3-9-14(23)24/h4-5,7-8,25-26H,2-3,6,9-10H2,1H3,(H,23,24)
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n/an/a 2.84E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224331
PNG
(6-(5-(1-allyl-5-bromo-2-oxoindolin-3-yl)-4-oxo-2-t...)
Show SMILES OC(=O)CCCCCn1c(O)c(sc1=S)C1C(=O)N(CC=C)c2ccc(Br)cc12
Show InChI InChI=1S/C20H21BrN2O4S2/c1-2-9-22-14-8-7-12(21)11-13(14)16(18(22)26)17-19(27)23(20(28)29-17)10-5-3-4-6-15(24)25/h2,7-8,11,16,27H,1,3-6,9-10H2,(H,24,25)
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n/an/a 3.99E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224327
PNG
(6-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-yl)-4-oxo-...)
Show SMILES OC(=O)CCCCCn1c(O)c(sc1=S)C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H23FN2O4S2/c25-16-11-9-15(10-12-16)14-27-18-7-4-3-6-17(18)20(22(27)30)21-23(31)26(24(32)33-21)13-5-1-2-8-19(28)29/h3-4,6-7,9-12,20,31H,1-2,5,8,13-14H2,(H,28,29)
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n/an/a 4.52E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224328
PNG
(6-(4-oxo-5-(2-oxoindolin-3-yl)-2-thioxothiazolidin...)
Show SMILES OC(=O)CCCCCn1c(O)c(sc1=S)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H18N2O4S2/c20-12(21)8-2-1-5-9-19-16(23)14(25-17(19)24)13-10-6-3-4-7-11(10)18-15(13)22/h3-4,6-7,13,23H,1-2,5,8-9H2,(H,18,22)(H,20,21)
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n/an/a 5.29E+4n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin N-acetyltransferase


(Ovis aries)
BDBM50224326
PNG
(CHEMBL440979 | {4-[(4-benzyloxy-benzoyl)-hydrazono...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C23H20N2O5/c26-22(27)16-30-20-10-6-17(7-11-20)14-24-25-23(28)19-8-12-21(13-9-19)29-15-18-4-2-1-3-5-18/h1-14H,15-16H2,(H,25,28)(H,26,27)/b24-14+
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n/an/a 4.02E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine AANAT by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair