BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits of ic50 data for polymerid = 50007946   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479865
PNG
(PLATENSIMYCIN | Platensimycin)
Show SMILES CC12C[C@]34CC1C[C@H](O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)C(=O)C=C4
Show InChI InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12?,15-,20?,22+,23?,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50483833
PNG
(PLATENSIMYCIN A1 | Platensimycin A1)
Show SMILES C[C@@]12O[C@@]34C[C@@]13C[C@@]1(C=CC(=O)[C@@](C)(CCC(=O)Nc3c(O)ccc(C(O)=O)c3O)[C@@H]41)[C@H]2O
Show InChI InChI=1S/C24H25NO8/c1-20(7-6-14(28)25-15-12(26)4-3-11(16(15)29)17(30)31)13(27)5-8-22-9-23-10-24(23,18(20)22)33-21(23,2)19(22)32/h3-5,8,18-19,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t18-,19+,20-,21+,22-,23+,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 2.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FASF assessed as [2-14C]-malonyl CoA incorporation after 90 mins by cell free-based scintillation counting


J Nat Prod 74: 329-40 (2011)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479871
PNG
(DIHYDROPLATENSIMYCIN | Dihydroplatensimycin)
Show SMILES CC12CC34CC1CC(O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)C(=O)CC4
Show InChI InChI=1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12?,15?,20?,22-,23?,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479873
PNG
(CHEMBL492363)
Show SMILES CC1=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)C2C3CC4CC12CC4(C)O3
Show InChI InChI=1S/C25H29NO7/c1-12-8-17(28)23(2,21-16-9-13-10-25(12,21)11-24(13,3)33-16)7-6-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32/h4-5,8,13,16,21,27,30H,6-7,9-11H2,1-3H3,(H,26,29)(H,31,32)/t13?,16?,21?,23-,24?,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 5.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479866
PNG
(PHENYL DIHYDROPLATENSIMYCIN | Phenyl Dihydroplaten...)
Show SMILES CC12CC34CC1CC(O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)C(=O)CC4c1ccccc1
Show InChI InChI=1S/C30H33NO7/c1-28(11-10-23(34)31-24-20(32)9-8-18(25(24)35)27(36)37)22(33)13-19(16-6-4-3-5-7-16)30-14-17-12-21(26(28)30)38-29(17,2)15-30/h3-9,17,19,21,26,32,35H,10-15H2,1-2H3,(H,31,34)(H,36,37)/t17?,19?,21?,26?,28-,29?,30?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479867
PNG
(CHEMBL521849)
Show SMILES CC12CC34CC1CC(O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)C(=O)[C@@H]1C[C@H]41
Show InChI InChI=1S/C25H29NO7/c1-23(6-5-17(28)26-18-15(27)4-3-12(19(18)29)22(31)32)20-16-7-11-9-25(20,10-24(11,2)33-16)14-8-13(14)21(23)30/h3-4,11,13-14,16,20,27,29H,5-10H2,1-2H3,(H,26,28)(H,31,32)/t11?,13-,14+,16?,20?,23+,24?,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479872
PNG
(CHEMBL494403)
Show SMILES CC12CC34CC1CC(O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)c1oncc1C4
Show InChI InChI=1S/C25H28N2O7/c1-23(6-5-17(29)27-18-15(28)4-3-14(19(18)30)22(31)32)20-16-7-13-9-25(20,11-24(13,2)33-16)8-12-10-26-34-21(12)23/h3-4,10,13,16,20,28,30H,5-9,11H2,1-2H3,(H,27,29)(H,31,32)/t13?,16?,20?,23-,24?,25?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.34E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479868
PNG
(CHEMBL523838)
Show SMILES CC1CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)C2C3CC4CC12CC4(C)O3
Show InChI InChI=1S/C25H31NO7/c1-12-8-17(28)23(2,21-16-9-13-10-25(12,21)11-24(13,3)33-16)7-6-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32/h4-5,12-13,16,21,27,30H,6-11H2,1-3H3,(H,26,29)(H,31,32)/t12?,13?,16?,21?,23-,24?,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50483832
PNG
(CHEMBL1773150)
Show SMILES C[C@]12O[C@H]3CC1C[C@@]1(C=C(O)C(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)C31)C2O
Show InChI InChI=1S/C24H27NO9/c1-22(6-5-15(28)25-16-12(26)4-3-11(17(16)29)20(31)32)18-14-7-10-8-24(18,9-13(27)19(22)30)21(33)23(10,2)34-14/h3-4,9-10,14,18,21,26-27,29,33H,5-8H2,1-2H3,(H,25,28)(H,31,32)/t10?,14-,18?,21?,22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.37E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FASF assessed as [2-14C]-malonyl CoA incorporation after 90 mins by cell free-based scintillation counting


J Nat Prod 74: 329-40 (2011)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479870
PNG
(CHEMBL494959)
Show SMILES Cn1ncc2CC34CC5CC(OC5(C)C3)C4[C@](C)(CCC(=O)Nc3c(O)ccc(C(O)=O)c3O)c12
Show InChI InChI=1S/C26H31N3O6/c1-24(7-6-18(31)28-19-16(30)5-4-15(20(19)32)23(33)34)21-17-8-14-10-26(21,12-25(14,2)35-17)9-13-11-27-29(3)22(13)24/h4-5,11,14,17,21,30,32H,6-10,12H2,1-3H3,(H,28,31)(H,33,34)/t14?,17?,21?,24-,25?,26?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.55E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479869
PNG
(CHEMBL523161)
Show SMILES CC12CC34CC1CC(O2)C3[C@](C)(CCC(=O)Nc1c(O)ccc(C(O)=O)c1O)C(=O)OC4
Show InChI InChI=1S/C23H27NO8/c1-21(6-5-15(26)24-16-13(25)4-3-12(17(16)27)19(28)29)18-14-7-11-8-23(18,10-31-20(21)30)9-22(11,2)32-14/h3-4,11,14,18,25,27H,5-10H2,1-2H3,(H,24,26)(H,28,29)/t11?,14?,18?,21-,22?,23?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.66E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Staphylococcus aureus)
BDBM50479874
PNG
(CHEMBL492364)
Show SMILES CN1CC23CC4CC(OC4(C)C2)C3[C@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)C1=O
Show InChI InChI=1S/C24H30N2O7/c1-22(7-6-16(28)25-17-14(27)5-4-13(18(17)29)20(30)31)19-15-8-12-9-24(19,10-23(12,2)33-15)11-26(3)21(22)32/h4-5,12,15,19,27,29H,6-11H2,1-3H3,(H,25,28)(H,30,31)/t12?,15?,19?,22-,23?,24?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>4.36E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay


Bioorg Med Chem Lett 19: 1623-7 (2009)

More data for this
Ligand-Target Pair