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BDBM50372766 CHEMBL271482

SMILES: O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O

InChI Key: InChIKey=SDKCDTRDSFWFOA-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372766   
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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372766
PNG
(CHEMBL271482)
Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372766
PNG
(CHEMBL271482)
Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O
Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae UPPS


Bioorg Med Chem Lett 18: 1840-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.009
BindingDB Entry DOI: 10.7270/Q2CF9QZ5
More data for this
Ligand-Target Pair