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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with Target = 'Indolethylamine N-methyltransferase' AND taxid = 9606   
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
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant towards indole N-methyl-transferase


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50367839
PNG
(CHEMBL2368635)
Show SMILES [I-].C[S+](CCCCc1c[nH]c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N6O3S.HI/c1-33(9-5-4-6-14-10-25-16-8-3-2-7-15(14)16)11-17-19(30)20(31)23(32-17)29-13-28-18-21(24)26-12-27-22(18)29;/h2-3,7-8,10,12-13,17,19-20,23,25,30-31H,4-6,9,11H2,1H3,(H2,24,26,27);1H/q+1;/p-1/t17-,19-,20-,23-,33?;/m1./s1
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1.20E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of compound against indole N-methyl transferase


J Med Chem 32: 2-7 (1989)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50367125
PNG
(CHEMBL3085550)
Show SMILES [O-][Cl](=O)(=O)=O.C[S+](CCCCc1c[nH]c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N6O3S.ClHO4/c1-33(9-5-4-6-14-10-25-16-8-3-2-7-15(14)16)11-17-19(30)20(31)23(32-17)29-13-28-18-21(24)26-12-27-22(18)29;2-1(3,4)5/h2-3,7-8,10,12-13,17,19-20,23,25,30-31H,4-6,9,11H2,1H3,(H2,24,26,27);(H,2,3,4,5)/q+1;/p-1/t17-,19-,20-,23-,33?;/m1./s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant towards indole N-methyl-transferase


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50367124
PNG
(CHEMBL606327)
Show SMILES C[S+](CCCc1c[nH]c2ccccc12)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H27N6O3S/c1-32(8-4-5-13-9-24-15-7-3-2-6-14(13)15)10-16-18(29)19(30)22(31-16)28-12-27-17-20(23)25-11-26-21(17)28/h2-3,6-7,9,11-12,16,18-19,22,24,29-30H,4-5,8,10H2,1H3,(H2,23,25,26)/q+1/t16-,18-,19-,22?,32?/m1/s1
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4.44E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant towards indole N-methyl-transferase


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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7.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant towards indole N-methyl-transferase


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000094
PNG
(CHEMBL3228343)
Show SMILES C1CN2CCCCC2=N1
Show InChI InChI=1S/C7H12N2.C4H4O4/c1-2-5-9-6-4-8-7(9)3-1;5-3(6)1-2-4(7)8/h1-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000178
PNG
(CHEMBL3228332)
Show SMILES C1CN2CCN=C2C1
Show InChI InChI=1S/C6H10N2.C4H4O4/c1-2-6-7-3-5-8(6)4-1;5-3(6)1-2-4(7)8/h1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000113
PNG
(CHEMBL3228352)
Show SMILES CN1CCSC1=N
Show InChI InChI=1S/C4H8N2S.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000115
PNG
(CHEMBL3228354)
Show SMILES CCN1CCSC1=N
Show InChI InChI=1S/C5H10N2S.C4H4O4/c1-2-7-3-4-8-5(7)6;5-3(6)1-2-4(7)8/h6H,2-4H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000184
PNG
(CHEMBL3228372)
Show SMILES CCN1CCCC1=N
Show InChI InChI=1S/C6H12N2.C2H2O4/c1-2-8-5-3-4-6(8)7;3-1(4)2(5)6/h7H,2-5H2,1H3;(H,3,4)(H,5,6)
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000169
PNG
(CHEMBL3228261)
Show SMILES C1CCC2=NCCCN2C1
Show InChI InChI=1S/C8H14N2.C4H4O4/c1-2-6-10-7-3-5-9-8(10)4-1;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000219
PNG
(CHEMBL3228381)
Show SMILES CN1CCCSC1=N
Show InChI InChI=1S/C5H10N2S.BrH/c1-7-3-2-4-8-5(7)6;/h6H,2-4H2,1H3;1H
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n/an/a 3.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000302
PNG
(CHEMBL3228385)
Show SMILES CN1C=CCSC1=N
Show InChI InChI=1S/C5H8N2S.ClH.H2O/c1-7-3-2-4-8-5(7)6;;/h2-3,6H,4H2,1H3;1H;1H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000132
PNG
(CHEMBL3228371)
Show SMILES CN1CCCC1=N
Show InChI InChI=1S/C5H10N2.HI/c1-7-4-2-3-5(7)6;/h6H,2-4H2,1H3;1H
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000096
PNG
(CHEMBL3228345)
Show SMILES C1CN2CCSCC2=N1
Show InChI InChI=1S/C6H10N2S.C4H4O4/c1-2-8-3-4-9-5-6(8)7-1;5-3(6)1-2-4(7)8/h1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000121
PNG
(CHEMBL3228361)
Show SMILES CNN1CCSC1=N
Show InChI InChI=1S/C4H9N3S.C4H4O4/c1-6-7-2-3-8-4(7)5;5-3(6)1-2-4(7)8/h5-6H,2-3H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000123
PNG
(CHEMBL3228364)
Show SMILES Cn1ccsc1=N
Show InChI InChI=1S/C4H6N2S.HI/c1-6-2-3-7-4(6)5;/h2-3,5H,1H3;1H
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n/an/a 6.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000324
PNG
(CHEMBL3228400)
Show SMILES CN1CCC=CC1=N
Show InChI InChI=1S/C6H10N2.C4H4O4/c1-8-5-3-2-4-6(8)7;5-3(6)1-2-4(7)8/h2,4,7H,3,5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 7.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000258
PNG
(CHEMBL3228382)
Show SMILES CCN1CCCSC1=N
Show InChI InChI=1S/C6H12N2S.BrH/c1-2-8-4-3-5-9-6(8)7;/h7H,2-5H2,1H3;1H
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n/an/a 9.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000304
PNG
(CHEMBL3228387)
Show SMILES C=CCn1ccccc1=N
Show InChI InChI=1S/C8H10N2.BrH/c1-2-6-10-7-4-3-5-8(10)9;/h2-5,7,9H,1,6H2;1H
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n/an/a>1.16E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000126
PNG
(CHEMBL3228368)
Show SMILES C\N=c1/cnsn1C
Show InChI InChI=1S/C4H7N3S.ClH/c1-5-4-3-6-8-7(4)2;/h3H,1-2H3;1H/b5-4+;
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000299
PNG
(CHEMBL3228383)
Show SMILES CN1C=CSCC1=N
Show InChI InChI=1S/C5H8N2S.BrH/c1-7-2-3-8-4-5(7)6;/h2-3,6H,4H2,1H3;1H
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n/an/a 1.27E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000133
PNG
(CHEMBL3228259)
Show SMILES C1CN2CCCN=C2C1
Show InChI InChI=1S/C7H12N2.C4H4O4/c1-3-7-8-4-2-6-9(7)5-1;5-3(6)1-2-4(7)8/h1-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 1.34E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000303
PNG
(CHEMBL3228386)
Show SMILES Cn1ccccc1=N
Show InChI InChI=1S/C6H8N2.ClH/c1-8-5-3-2-4-6(8)7;/h2-5,7H,1H3;1H
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000116
PNG
(CHEMBL3228355)
Show SMILES C\N=C1\NCCS1
Show InChI InChI=1S/C4H8N2S.ClH/c1-5-4-6-2-3-7-4;/h2-3H2,1H3,(H,5,6);1H
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n/an/a 1.52E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000098
PNG
(CHEMBL3228347)
Show SMILES [O-][S+]1CCN2CCN=C2C1
Show InChI InChI=1S/C6H10N2OS.C4H4O4/c9-10-4-3-8-2-1-7-6(8)5-10;5-3(6)1-2-4(7)8/h1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 1.88E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000125
PNG
(CHEMBL3228367)
Show SMILES C\N=c1/ccsn1C
Show InChI InChI=1S/C5H8N2S.ClH/c1-6-5-3-4-8-7(5)2;/h3-4H,1-2H3;1H/b6-5+;
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n/an/a 1.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000347
PNG
(CHEMBL3228404)
Show SMILES Cn1ccc(=N)s1
Show InChI InChI=1S/C4H6N2S.ClH/c1-6-3-2-4(5)7-6;/h2-3,5H,1H3;1H
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n/an/a 2.19E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000331
PNG
(CHEMBL3228350)
Show SMILES C1CN2C=CCSC2=N1
Show InChI InChI=1S/C6H8N2S.C2H2O4/c1-3-8-4-2-7-6(8)9-5-1;3-1(4)2(5)6/h1,3H,2,4-5H2;(H,3,4)(H,5,6)
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n/an/a 2.45E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000167
PNG
(CHEMBL1489129)
Show SMILES C1CN=C2CCCCCN2C1
Show InChI InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000194
PNG
(CHEMBL3228380)
Show SMILES CN1CCSCC1=N
Show InChI InChI=1S/C5H10N2S.ClH.H2O/c1-7-2-3-8-4-5(7)6;;/h6H,2-4H2,1H3;1H;1H2
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n/an/a 3.23E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000110
PNG
(CHEMBL3228348)
Show SMILES C1CN2C=CSCC2=N1
Show InChI InChI=1S/C6H8N2S.C4H4O4/c1-2-8-3-4-9-5-6(8)7-1;5-3(6)1-2-4(7)8/h3-4H,1-2,5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50367125
PNG
(CHEMBL3085550)
Show SMILES [O-][Cl](=O)(=O)=O.C[S+](CCCCc1c[nH]c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N6O3S.ClHO4/c1-33(9-5-4-6-14-10-25-16-8-3-2-7-15(14)16)11-17-19(30)20(31)23(32-17)29-13-28-18-21(24)26-12-27-22(18)29;2-1(3,4)5/h2-3,7-8,10,12-13,17,19-20,23,25,30-31H,4-6,9,11H2,1H3,(H2,24,26,27);(H,2,3,4,5)/q+1;/p-1/t17-,19-,20-,23-,33?;/m1./s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000330
PNG
(CHEMBL3228405)
Show SMILES Cc1cc(=N)sn1C
Show InChI InChI=1S/C5H8N2S.HI/c1-4-3-5(6)8-7(4)2;/h3,6H,1-2H3;1H
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n/an/a 4.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000332
PNG
(CHEMBL3228360)
Show SMILES NN1CCSC1=N
Show InChI InChI=1S/C4H4O4.C3H7N3S/c5-3(6)1-2-4(7)8;4-3-6(5)1-2-7-3/h1-2H,(H,5,6)(H,7,8);4H,1-2,5H2/b2-1-;
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n/an/a 4.68E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000061
PNG
(CHEMBL3228406)
Show SMILES Cn1ccc(=N)cc1
Show InChI InChI=1S/C6H8N2.HI/c1-8-4-2-6(7)3-5-8;/h2-5,7H,1H3;1H
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n/an/a 6.38E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000333
PNG
(CHEMBL3228363)
Show SMILES CN1CCS\C1=N/CC\N=C1/SCCN1C
Show InChI InChI=1S/C10H18N4S2.ClH/c1-13-5-7-15-9(13)11-3-4-12-10-14(2)6-8-16-10;/h3-8H2,1-2H3;1H/b11-9-,12-10-;
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n/an/a>7.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000124
PNG
(CHEMBL3228365)
Show SMILES Cn1cc(sc1=N)C(F)(F)F
Show InChI InChI=1S/C5H5F3N2S.FHO3S/c1-10-2-3(5(6,7)8)11-4(10)9;1-5(2,3)4/h2,9H,1H3;(H,2,3,4)
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n/an/a>8.66E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000185
PNG
(CHEMBL3228373)
Show SMILES CCCCCN1CCCC1=N
Show InChI InChI=1S/C9H18N2.BrH/c1-2-3-4-7-11-8-5-6-9(11)10;/h10H,2-8H2,1H3;1H
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n/an/a>1.06E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50367124
PNG
(CHEMBL606327)
Show SMILES C[S+](CCCc1c[nH]c2ccccc12)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H27N6O3S/c1-32(8-4-5-13-9-24-15-7-3-2-6-14(13)15)10-16-18(29)19(30)22(31-16)28-12-27-17-20(23)25-11-26-21(17)28/h2-3,6-7,9,11-12,16,18-19,22,24,29-30H,4-5,8,10H2,1H3,(H2,23,25,26)/q+1/t16-,18-,19-,22?,32?/m1/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404952
PNG
(CHEMBL32563)
Show SMILES C[S+](CCCCc1c[nH]c2ccccc12)CCC(N)C(O)=O
Show InChI InChI=1S/C17H24N2O2S/c1-22(11-9-15(18)17(20)21)10-5-4-6-13-12-19-16-8-3-2-7-14(13)16/h2-3,7-8,12,15,19H,4-6,9-11,18H2,1H3/p+1
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n/an/a 5.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000168
PNG
(CHEMBL3228260)
Show SMILES C1CN2CCCCN=C2C1
Show InChI InChI=1S/C8H14N2/c1-2-6-10-7-3-4-8(10)9-5-1/h1-7H2
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n/an/a 8.52E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404954
PNG
(CHEMBL288035)
Show SMILES NC(CCSCCCCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H22N2O2S/c17-14(16(19)20)8-10-21-9-4-3-5-12-11-18-15-7-2-1-6-13(12)15/h1-2,6-7,11,14,18H,3-5,8-10,17H2,(H,19,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404953
PNG
(CHEMBL604852)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CSCCCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H26N6O3S/c23-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(31-22)10-32-8-4-3-5-13-9-24-15-7-2-1-6-14(13)15/h1-2,6-7,9,11-12,16,18-19,22,24,29-30H,3-5,8,10H2,(H2,23,25,26)/t16-,18-,19-,22?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404951
PNG
(CHEMBL34209)
Show SMILES NC(CCSCCCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H20N2O2S/c16-13(15(18)19)7-9-20-8-3-4-11-10-17-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,17H,3-4,7-9,16H2,(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404950
PNG
(CHEMBL605475)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CSCCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H24N6O3S/c22-19-16-20(25-10-24-19)27(11-26-16)21-18(29)17(28)15(30-21)9-31-7-3-4-12-8-23-14-6-2-1-5-13(12)14/h1-2,5-6,8,10-11,15,17-18,21,23,28-29H,3-4,7,9H2,(H2,22,24,25)/t15-,17-,18-,21?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50404949
PNG
(CHEMBL287519)
Show SMILES C[S+](CCCc1c[nH]c2ccccc12)CCC(N)C(O)=O
Show InChI InChI=1S/C16H22N2O2S/c1-21(10-8-14(17)16(19)20)9-4-5-12-11-18-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,18H,4-5,8-10,17H2,1H3/p+1
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UniChem

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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung indole N-methyl-transferase by using S-adenosyl-L-[methyl-3H]-methionine as radioligand.


J Med Chem 26: 1470-7 (1983)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000336
PNG
(CHEMBL3228366)
Show SMILES Cn1sccc1=N
Show InChI InChI=1S/C4H6N2S.ClH/c1-6-4(5)2-3-7-6;/h2-3,5H,1H3;1H
PDB
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PC cid
PC sid
UniChem

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PubMed
n/an/a 3.28E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000131
PNG
(CHEMBL3228370)
Show SMILES C\N=C1/CCCN1
Show InChI InChI=1S/C5H10N2.HI/c1-6-5-3-2-4-7-5;/h2-4H2,1H3,(H,6,7);1H
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PC cid
PC sid
UniChem
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n/an/a>4.43E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
PDB
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UniChem

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PubMed
n/an/a>8.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


J Med Chem 22: 237-47 (1979)

More data for this
Ligand-Target Pair