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PubMed code 16789755

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189917
PNG
((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...)
Show SMILES NC(CCSCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)
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PDB
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189914
PNG
((R,S)-2-amino-4-(2-carboxymethylsulfanyl-ethylsulf...)
Show SMILES NC(CCSCCSCC(O)=O)C(O)=O
Show InChI InChI=1S/C8H15NO4S2/c9-6(8(12)13)1-2-14-3-4-15-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)
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n/an/a 96n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189912
PNG
((R,S)-6-(3-amino-3-carboxy-propylsulfanyl)-hexanoi...)
Show SMILES NC(CCSCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H19NO4S/c11-8(10(14)15)5-7-16-6-3-1-2-4-9(12)13/h8H,1-7,11H2,(H,12,13)(H,14,15)
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n/an/a 200n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189915
PNG
((R,S)-5-(3-amino-3-carboxy-propylsulfinyl)-pentano...)
Show SMILES NC(CCS(=O)CCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H17NO5S/c10-7(9(13)14)4-6-16(15)5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189916
PNG
((R,S)-2-amino-4-(4-phosphono-butylsulfanyl)-butyri...)
Show SMILES NC(CCSCCCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C8H18NO5PS/c9-7(8(10)11)3-6-16-5-2-1-4-15(12,13)14/h7H,1-6,9H2,(H,10,11)(H2,12,13,14)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50189913
PNG
((R,S)-4-(3-amino-3-carboxy-propylsulfanyl)-benzoic...)
Show SMILES NC(CCSc1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H13NO4S/c12-9(11(15)16)5-6-17-8-3-1-7(2-4-8)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human BHMT


J Med Chem 49: 3982-9 (2006)


Article DOI: 10.1021/jm050885v
BindingDB Entry DOI: 10.7270/Q2S75FXJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%