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BDBM38531 2-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-4-one::2-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one::2-hydroxy-3-(piperidinomethyl)chromone::2-oxidanyl-3-(piperidin-1-ylmethyl)chromen-4-one::4-Hydroxy-3-piperidin-1-ylmethyl-chromen-2-one::MLS000028235::SMR000010250::cid_651020

SMILES: Oc1c(CN2CCCCC2)c(=O)oc2ccccc12

InChI Key: InChIKey=ZZUCJGSOKDNIEZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 38531   
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)
BDBM38531
PNG
(2-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-4-o...)
Show SMILES Oc1c(CN2CCCCC2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q27P8WSS
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38531
PNG
(2-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-4-o...)
Show SMILES Oc1c(CN2CCCCC2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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)
BDBM38531
PNG
(2-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-4-o...)
Show SMILES Oc1c(CN2CCCCC2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q23X852V
More data for this
Ligand-Target Pair