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BDBM38698 1-(3-bromo-4-fluoro-benzyl)isonipecotic acid ethyl ester::1-[(3-bromo-4-fluorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester::MLS000105313::SMR000102194::cid_764039::ethyl 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidine-4-carboxylate::ethyl 1-[(3-bromo-4-fluorophenyl)methyl]piperidine-4-carboxylate

SMILES: CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1

InChI Key: InChIKey=KBOVACOHXFRPHM-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 38698   
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
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38698
PNG
(1-(3-bromo-4-fluoro-benzyl)isonipecotic acid ethyl...)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
Show InChI InChI=1S/C15H19BrFNO2/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-14(17)13(16)9-11/h3-4,9,12H,2,5-8,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2CF9NG2
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38698
PNG
(1-(3-bromo-4-fluoro-benzyl)isonipecotic acid ethyl...)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
Show InChI InChI=1S/C15H19BrFNO2/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-14(17)13(16)9-11/h3-4,9,12H,2,5-8,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.83E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23X852V
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38698
PNG
(1-(3-bromo-4-fluoro-benzyl)isonipecotic acid ethyl...)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
Show InChI InChI=1S/C15H19BrFNO2/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-14(17)13(16)9-11/h3-4,9,12H,2,5-8,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q27P8WSS
More data for this
Ligand-Target Pair