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Compile Data Set for Download or QSAR

Found 3 hits of ph data with Target = 'NADPH-dependent enoyl-ACP reductase (FabI)'   
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
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM50399404
PNG
(CHEMBL2178287 | US8623865, 1)
Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F
Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 16n/an/an/an/a6.5n/a



Fab Pharma S.A.S.

US Patent


Assay Description
The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...


US Patent US8623865 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P6R
More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM112624
PNG
(US8623865, 3)
Show SMILES CCc1cc(OC(=O)OC)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F
Show InChI InChI=1S/C21H20F2N2O6/c1-3-12-9-17(31-21(28)29-2)18(10-14(12)22)30-16-5-4-13(8-15(16)23)20(27)25-7-6-24-19(26)11-25/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.00E+3n/an/an/an/a6.5n/a



Fab Pharma S.A.S.

US Patent


Assay Description
The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...


US Patent US8623865 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P6R
More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM50399405
PNG
(CHEMBL2178286 | US8623865, 2)
Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1
Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 29n/an/an/an/a6.5n/a



Fab Pharma S.A.S.

US Patent


Assay Description
The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...


US Patent US8623865 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P6R
More data for this
Ligand-Target Pair