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BDBM50372754 CHEMBL272054

SMILES: O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1

InChI Key: InChIKey=LTJDRUZRLUUWHU-AIBWNMTMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372754   
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
Undecaprenyl pyrophosphate synthase


(Streptococcus pneumoniae)
BDBM50372754
PNG
(CHEMBL272054)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50372754
PNG
(CHEMBL272054)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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