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BDBM38732 2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]methanone::MLS000108279::SMR000104240::[4-(3-benzoxy-4-methoxy-benzyl)piperazino]-(2-furyl)methanone::cid_1148134::furan-2-yl-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]methanone::furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone

SMILES: COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1

InChI Key: InChIKey=RHJSBZCOJFKXNB-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 38732   
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)
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.89E+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/Q2CF9NG2
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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UniChem

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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
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
PDB

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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
PDB

NCI pathway
Reactome pathway
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n/an/an/an/a 9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
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