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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Phosphoehtnaolamine Methyltransferases 1 (PMT1)' and Ligand = 'BDBM50308984'   
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
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
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PubMed
n/an/an/a 700n/an/an/a7.55



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
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PubMed
n/an/an/a 800n/an/an/a7.510



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
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PubMed
n/an/an/a 1.10E+3n/an/an/a7.515



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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PubMed
n/an/an/a 1.60E+3n/an/an/a7.520



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 900n/an/an/a7.54



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 2.90E+3n/an/an/a7.54



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/a 2.20E+3n/an/an/a7.54



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/a 1.30E+3n/an/an/a7.54



Washington University





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)
BDBM50308984
PNG
(AdoCys | CHEMBL597532 | S-Adenosylhomocysteine)
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=1/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+/s2
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 2.50E+3n/an/an/a7.525



Washington University





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