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SMILES: CCCCCCCCOc1ccc(F)c(c1)C(=O)Nc1ccc(F)cc1C(O)=O

InChI Key: InChIKey=NDAMJVLSZNWFAC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153314   
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
Decaprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)
BDBM153314
PNG
(BPH-1485)
Show SMILES CCCCCCCCOc1ccc(F)c(c1)C(=O)Nc1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C22H25F2NO4/c1-2-3-4-5-6-7-12-29-16-9-10-19(24)17(14-16)21(26)25-20-11-8-15(23)13-18(20)22(27)28/h8-11,13-14H,2-7,12H2,1H3,(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 19 compounds using cis-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DP...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair
Decaprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)
BDBM153314
PNG
(BPH-1485)
Show SMILES CCCCCCCCOc1ccc(F)c(c1)C(=O)Nc1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C22H25F2NO4/c1-2-3-4-5-6-7-12-29-16-9-10-19(24)17(14-16)21(26)25-20-11-8-15(23)13-18(20)22(27)28/h8-11,13-14H,2-7,12H2,1H3,(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 308n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair