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22 similar compounds to monomer 50075101

Compile data set for download or QSAR
Wt: 407.4
BDBM17293		Wt: 323.3
BDBM82052		Wt: 297.2
BDBM82539Purchase		Wt: 338.3
BDBM82054		Wt: 322.3
BDBM92644
Wt: 381.3
BDBM92471		Wt: 381.4
BDBM50099072		Wt: 381.3
BDBM50381264		Wt: 381.3
BDBM50378739Purchase		Wt: 281.2
BDBM50370197
Wt: 341.2
BDBM50370430		Wt: 357.7
BDBM50370431		Wt: 408.4
BDBM50369035		Wt: 549.3
BDBM50396017		Wt: 381.3
BDBM50406624Purchase
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 17293,82052,82539,82054,92644,92471,50099072,50381264,50378739,50370197,50370430,50370431,50369035,50396017,50406624   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82054
PNG
(Ado-5'-(2-hydroxyethyl)carboxamide)
Show SMILES NC(=O)CCOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N6O5/c14-7(20)1-2-23-3-6-9(21)10(22)13(24-6)19-5-18-8-11(15)16-4-17-12(8)19/h4-6,9-10,13,21-22H,1-3H2,(H2,14,20)(H2,15,16,17)/t6-,9-,10-,13-/m1/s1
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 28.1n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))		BDBM82054
PNG
(Ado-5'-(2-hydroxyethyl)carboxamide)
Show SMILES NC(=O)CCOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N6O5/c14-7(20)1-2-23-3-6-9(21)10(22)13(24-6)19-5-18-8-11(15)16-4-17-12(8)19/h4-6,9-10,13,21-22H,1-3H2,(H2,14,20)(H2,15,16,17)/t6-,9-,10-,13-/m1/s1
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 57.5n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82052
PNG
(Ado-5'-ethylcarboxylate)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
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 174n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))		BDBM82052
PNG
(Ado-5'-ethylcarboxylate)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
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 387n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50370431
PNG
(CHEMBL610574)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)OCCCl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H16ClN5O5/c14-1-2-23-7(20)3-6-9(21)10(22)13(24-6)19-5-18-8-11(15)16-4-17-12(8)19/h4-6,9-10,13,21-22H,1-3H2,(H2,15,16,17)/t6-,9-,10-,13?/m1/s1
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 3.20E+3n/an/an/an/an/an/an/an/a



UMR 6519

Curated by ChEMBL


Assay Description
Inhibition of human placental AdoHcy hydrolase

Bioorg Med Chem Lett 14: 5799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.050
BindingDB Entry DOI: 10.7270/Q2RN38NZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50370197
PNG
(CHEMBL606060)
Show SMILES CC1(O[C@H](CO)[C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-11(8(19)7(18)5(2-17)20-11)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11?/m1/s1
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 7.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor

J Med Chem 45: 1196-202 (2002)


Article DOI: 10.1021/jm0102755
BindingDB Entry DOI: 10.7270/Q2542PB2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82539
PNG
(beta-D-Psicofuranosyladenine)
Show SMILES Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))		BDBM82539
PNG
(beta-D-Psicofuranosyladenine)
Show SMILES Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
ADORA3


(RAT)		BDBM82539
PNG
(beta-D-Psicofuranosyladenine)
Show SMILES Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM92644
PNG
(EPZ002446)
Show SMILES CC(C)N(C)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N6O3/c1-7(2)19(3)4-8-10(21)11(22)14(23-8)20-6-18-9-12(15)16-5-17-13(9)20/h5-8,10-11,14,21-22H,4H2,1-3H3,(H2,15,16,17)/t8?,10-,11-,14?/m1/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



Epizyme Inc



Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay.

Chem Biol Drug Des 80: 971-80 (2012)


Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12
More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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 4.70E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction

J Med Chem 35: 63-7 (1992)


Article DOI: 10.1021/jm00079a007
BindingDB Entry DOI: 10.7270/Q2T1548J
More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens (Human))		BDBM50406624
PNG
(CHEMBL2093043)
Show SMILES N[C@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7+,8-,10-,11-,14-/m1/s1
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 5.40E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction

J Med Chem 35: 63-7 (1992)


Article DOI: 10.1021/jm00079a007
BindingDB Entry DOI: 10.7270/Q2T1548J
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50370430
PNG
(CHEMBL610300)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)OCCF)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H16FN5O5/c14-1-2-23-7(20)3-6-9(21)10(22)13(24-6)19-5-18-8-11(15)16-4-17-12(8)19/h4-6,9-10,13,21-22H,1-3H2,(H2,15,16,17)/t6-,9-,10-,13?/m1/s1
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 7.50E+4n/an/an/an/an/an/an/an/a



UMR 6519

Curated by ChEMBL


Assay Description
Inhibition of human placental AdoHcy hydrolase

Bioorg Med Chem Lett 14: 5799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.050
BindingDB Entry DOI: 10.7270/Q2RN38NZ
More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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 1.26E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using protein extracted from the 12000g pellet(P12).

J Med Chem 35: 63-7 (1992)


Article DOI: 10.1021/jm00079a007
BindingDB Entry DOI: 10.7270/Q2T1548J
More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens (Human))		BDBM50406624
PNG
(CHEMBL2093043)
Show SMILES N[C@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7+,8-,10-,11-,14-/m1/s1
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 2.36E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using protein extracted from the 12000g pellet(P12).

J Med Chem 35: 63-7 (1992)


Article DOI: 10.1021/jm00079a007
BindingDB Entry DOI: 10.7270/Q2T1548J
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))		BDBM17293
PNG
(Compound 10 | MB-329-131A2 | [5-(6-amino-9H-purin-...)
Show SMILES CCCCCCCCC(=O)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H29N5O5/c1-2-3-4-5-6-7-8-13(25)28-9-12-15(26)16(27)19(29-12)24-11-23-14-17(20)21-10-22-18(14)24/h10-12,15-16,19,26-27H,2-9H2,1H3,(H2,20,21,22)
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 2.50E+5 -5.11n/an/an/an/an/a7.537



CHUL



Assay Description
For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra...

FASEB J 16: 1829-31 (2002)


Article DOI: 10.1096/fj.02-0026fje
BindingDB Entry DOI: 10.7270/Q23T9FGW
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting

Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))		BDBM50381264
PNG
(CHEMBL1235825)
Show SMILES CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
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n/an/a 3.02E+5n/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Inhibition of human Dnmt1 using oligonucleotide 2 as substrate after 5000 sec by micro plate reader based real-time break-light assay

Bioorg Med Chem Lett 22: 3079-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.072
BindingDB Entry DOI: 10.7270/Q25Q4X4W
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT2 (unknown origin)

Bioorg Med Chem 25: 4579-4594 (2017)


Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT1 (unknown origin)

Bioorg Med Chem 25: 4579-4594 (2017)


Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 3.37E+4n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...

Bioorg Med Chem 26: 1751-1758 (2018)


Article DOI: 10.1016/j.bmc.2018.02.020
BindingDB Entry DOI: 10.7270/Q2319ZHM
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF a...

Bioorg Med Chem 25: 4579-4594 (2017)


Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT2 (unknown origin) preincubated for 15 mins followed by SAM and biotinylated H3K9 peptide addition measured after 30 mins by TR-FRE...

Bioorg Med Chem 25: 4579-4594 (2017)


Article DOI: 10.1016/j.bmc.2017.06.032
BindingDB Entry DOI: 10.7270/Q2CC135P
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation...

J Med Chem 62: 6597-6614 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00413
More data for this
Ligand-Target Pair
NS5


(Zika virus)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using GpppAC4 as substrate in presence of [3H]SAM incubated for 3...

J Med Chem 63: 470-489 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00775
More data for this
Ligand-Target Pair
NS5


(Zika virus)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using A27 RNA as substrate in presence of [3H]SAM incubated for 3...

J Med Chem 63: 470-489 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00775
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of full-length N-terminal FLAG-tagged PRMT5 (unknown origin) (1 to 637 residues) expressed in baculovirus infected Sf9 insect cells using ...

Bioorg Med Chem Lett 28: 3693-3699 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.026
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nonstructural protein 5


(Dengue virus)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting an...

J Med Chem 59: 5622-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01653
More data for this
Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a<50n/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human RNA-N7 MTase expressed in Escherichia coli using GpppAC4 and [3H]SAM as substrate preincubated with enzyme...

Eur J Med Chem 201: (2020)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of human guanine-N7 methyltransferase expressed in Saccharomyces cerevisiae YBS40 (MATa leu2 ade2 trp1 his3 ura3 can1 abd1::hisGp360-ABD1)

Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
mRNA cap guanine-N7 methyltransferase


(Homo sapiens)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of N-terminus hexa-histidine tagged-human guanine-N7 methyltransferase expressed in Escherichia coli using GpppAC4 RNA as substrate incuba...

Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 278n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...

J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor

J Med Chem 56: 8972-83 (2013)


Article DOI: 10.1021/jm4007752
BindingDB Entry DOI: 10.7270/Q2D50PDQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DOT1L amino acid 1 to 472 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 min...

Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter

Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of G9a using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter

Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...

J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 mins before substrate addition mea...

Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Spermidine synthase


(Rattus norvegicus)		BDBM50369035
PNG
(CHEMBL608868)
Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1
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n/an/a 750n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.

J Med Chem 38: 2714-27 (1995)


Article DOI: 10.1021/jm00014a023
BindingDB Entry DOI: 10.7270/Q23T9HW3
More data for this
Ligand-Target Pair
Spermidine synthase


(Homo sapiens (Human))		BDBM50369035
PNG
(CHEMBL608868)
Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of prokaryotic Escherichia coli Putrescine aminopropyltransferase was determined

J Med Chem 38: 2714-27 (1995)


Article DOI: 10.1021/jm00014a023
BindingDB Entry DOI: 10.7270/Q23T9HW3
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Homo sapiens (Human))		BDBM50099072
PNG
((1S,2S)-1-[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N6O5/c1-3-7(2)9(17)16(25)26-4-8-11(23)12(24)15(27-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H2,18,19,20)/p+1/t7-,8+,9-,11+,12+,15+/m0/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)

Bioorg Med Chem Lett 11: 961-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00095-6
BindingDB Entry DOI: 10.7270/Q2NP2507
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM82052
PNG
(Ado-5'-ethylcarboxylate)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Thiopurine S-methyltransferase


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to thiopurine methyltransferase (unknown origin) by NMR analysis

J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 5.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...

ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))		BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 5.13E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...

ACS Med Chem Lett 5: 293-7 (2014)


Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Spermidine synthase


(Homo sapiens (Human))		BDBM50369035
PNG
(CHEMBL608868)
Show SMILES NCCCCNC(CCN)CC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H32N8O3/c19-6-1-2-8-22-11(5-7-20)3-4-12-14(27)15(28)18(29-12)26-10-25-13-16(21)23-9-24-17(13)26/h9-12,14-15,18,22,27-28H,1-8,19-20H2,(H2,21,23,24)/t11?,12-,14-,15-,18?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Putrescine aminopropyl transferase (PAPT) in rat liver

J Med Chem 38: 2714-27 (1995)


Article DOI: 10.1021/jm00014a023
BindingDB Entry DOI: 10.7270/Q23T9HW3
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)		BDBM92471
PNG
(Sinefungin)
Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)
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n/an/a 9.15E+4n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.

J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)		BDBM92471
PNG
(Sinefungin)
Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)
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n/an/a 3.38E+4n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.

J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))		BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter

Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair