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BDBM38635 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-phenyl-piperazine::1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-phenylpiperazine::1-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-phenylpiperazine::MLS000061100::SMR000069612::cid_2845487

SMILES: [H]C12CC(CN3CCN(CC3)c3ccccc3)C([H])(C1)C=C2

InChI Key: InChIKey=XHLIVZUGWXPOEE-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 = 38635   
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)
BDBM38635
PNG
(1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-phenyl-pip...)
Show SMILES C(C1CC2CC1C=C2)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

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)
BDBM38635
PNG
(1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-phenyl-pip...)
Show SMILES C(C1CC2CC1C=C2)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 1.37E+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)
BDBM38635
PNG
(1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-phenyl-pip...)
Show SMILES C(C1CC2CC1C=C2)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H24N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

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