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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'sohn' and Initial = 'mj'   
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
Peptide deformylase


(Staphylococcus aureus)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus peptide deformylase using N-formylmethionine-alanine-serine as substrate by spectrophotometry


J Nat Prod 75: 271-4 (2012)


Article DOI: 10.1021/np200720v
BindingDB Entry DOI: 10.7270/Q24B3299
More data for this
Ligand-Target Pair
Enoyl-ACP reductase


(Staphylococcus aureus)
BDBM50338300
PNG
(CHEMBL1682259 | phellinstatin)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3cc(O)c(O)cc3-c3c(O)cc(\C=C\c4ccc(O)c(O)c4)oc3=O)oc(=O)c12)c1ccc(O)c(O)c1 |r,wU:8.8,wD:9.51,(-3.09,.5,;-1.55,.47,;-.81,-.89,;.72,-.91,;1.53,.41,;.78,1.75,;1.59,3.07,;-.76,1.79,;1.47,-2.26,;.55,-3.5,;1.46,-4.75,;2.92,-4.29,;4.25,-5.07,;5.59,-4.3,;6.92,-5.07,;8.25,-4.3,;9.58,-5.06,;10.92,-4.3,;12.25,-5.06,;13.59,-4.29,;12.26,-6.61,;13.59,-7.38,;10.92,-7.38,;9.58,-6.61,;7.48,-7.73,;6.17,-6.92,;6.11,-5.65,;4.82,-7.66,;4.79,-9.21,;3.44,-9.95,;2.12,-9.15,;.77,-9.89,;-.54,-9.09,;-1.88,-9.83,;-1.92,-11.37,;-3.27,-12.11,;-.59,-12.17,;-.62,-13.71,;.75,-11.42,;6.12,-10.01,;7.46,-9.26,;8.78,-10.06,;5.59,-2.75,;4.26,-1.98,;4.26,-.44,;2.93,-2.74,;-.98,-3.49,;-1.76,-4.81,;-3.3,-4.81,;-4.06,-3.47,;-5.61,-3.45,;-3.28,-2.14,;-4.04,-.79,;-1.74,-2.15,)|
Show InChI InChI=1S/C39H26O15/c40-20-12-31(53-33(48)13-20)35-36-32(54-37(35)19-4-8-25(42)27(44)11-19)15-22(52-39(36)50)6-3-18-10-28(45)29(46)16-23(18)34-30(47)14-21(51-38(34)49)5-1-17-2-7-24(41)26(43)9-17/h1-16,35,37,40-47H/b5-1+,6-3+/t35-,37+/m0/s1
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PC cid
PC sid
UniChem
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level


Bioorg Med Chem Lett 21: 1716-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.080
BindingDB Entry DOI: 10.7270/Q29W0FRM
More data for this
Ligand-Target Pair
Enoyl-ACP reductase


(Staphylococcus aureus)
BDBM50338301
PNG
(CHEMBL1682260 | hypholomine B)
Show SMILES Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H18O10/c27-14-9-20(35-22(32)10-14)23-24-21(36-25(23)13-3-6-17(29)19(31)8-13)11-15(34-26(24)33)4-1-12-2-5-16(28)18(30)7-12/h1-11,23,25,27-31H/b4-1+/t23-,25+/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level


Bioorg Med Chem Lett 21: 1716-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.080
BindingDB Entry DOI: 10.7270/Q29W0FRM
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50379509
PNG
(CHEMBL2012550)
Show SMILES Cc1c2CO[C@@H]([C@H]3OC(O)c4c3c(O)c(O)c(O)c4C)c2c(O)c(O)c1O |r|
Show InChI InChI=1S/C18H18O9/c1-4-6-3-26-16(8(6)12(21)14(23)10(4)19)17-9-7(18(25)27-17)5(2)11(20)15(24)13(9)22/h16-25H,3H2,1-2H3/t16-,17+,18?/m1/s1
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KEGG

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n/an/a 3.58E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus peptide deformylase using N-formylmethionine-alanine-serine as substrate by spectrophotometry


J Nat Prod 75: 271-4 (2012)


Article DOI: 10.1021/np200720v
BindingDB Entry DOI: 10.7270/Q24B3299
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50379510
PNG
(CHEMBL2012551)
Show SMILES COCc1c2CO[C@@H]([C@H]3OC(O)c4c3c(O)c(O)c(O)c4C)c2c(O)c(O)c1O |r|
Show InChI InChI=1S/C19H20O10/c1-5-8-10(14(23)15(24)11(5)20)18(29-19(8)26)17-9-6(4-28-17)7(3-27-2)12(21)16(25)13(9)22/h17-26H,3-4H2,1-2H3/t17-,18+,19?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus peptide deformylase using N-formylmethionine-alanine-serine as substrate by spectrophotometry


J Nat Prod 75: 271-4 (2012)


Article DOI: 10.1021/np200720v
BindingDB Entry DOI: 10.7270/Q24B3299
More data for this
Ligand-Target Pair