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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Protein-beta-aspartate 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
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM50378739
PNG
(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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PubMed
4.70E+4n/an/an/an/an/an/an/an/a



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](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/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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PubMed
4.80E+4n/an/an/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


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


J Med Chem 35: 63-7 (1992)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
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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PubMed
5.40E+4n/an/an/an/an/an/an/an/a



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM50378739
PNG
(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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](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/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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1.64E+5n/an/an/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


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


J Med Chem 35: 63-7 (1992)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
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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CHEMBL
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PubMed
2.36E+5n/an/an/an/an/an/an/an/a



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM50368311
PNG
(CHEMBL609345)
Show SMILES NC(CC[C@H](N)C(O)=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H22N4O7/c15-6(1-2-7(16)13(22)23)5-8-10(20)11(21)12(25-8)18-4-3-9(19)17-14(18)24/h3-4,6-8,10-12,20-21H,1-2,5,15-16H2,(H,22,23)(H,17,19,24)/t6?,7-,8+,10+,11+,12?/m0/s1
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1.68E+6n/an/an/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


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


J Med Chem 35: 63-7 (1992)

More data for this
Ligand-Target Pair
Protein-beta-aspartate methyltransferase


(Homo sapiens)
BDBM50368311
PNG
(CHEMBL609345)
Show SMILES NC(CC[C@H](N)C(O)=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H22N4O7/c15-6(1-2-7(16)13(22)23)5-8-10(20)11(21)12(25-8)18-4-3-9(19)17-14(18)24/h3-4,6-8,10-12,20-21H,1-2,5,15-16H2,(H,22,23)(H,17,19,24)/t6?,7-,8+,10+,11+,12?/m0/s1
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PubMed
2.50E+6n/an/an/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


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


J Med Chem 35: 63-7 (1992)

More data for this
Ligand-Target Pair