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2 similar compounds to monomer 31038

Compile data set for download or QSAR
Wt: 340.4
BDBM30974
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Wt: 326.4
BDBM39026
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 30974,39026   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM30974
PNG
(1-(2,3-dimethylphenyl)-4-veratryl-piperazine | 1-[...)
Show SMILES COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
Show InChI InChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM30974
PNG
(1-(2,3-dimethylphenyl)-4-veratryl-piperazine | 1-[...)
Show SMILES COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
Show InChI InChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.56E+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)
BDBM30974
PNG
(1-(2,3-dimethylphenyl)-4-veratryl-piperazine | 1-[...)
Show SMILES COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
Show InChI InChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM39026
PNG
(4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2...)
Show SMILES COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O
Show InChI InChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 9.86E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39026
PNG
(4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2...)
Show SMILES COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O
Show InChI InChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 4.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39026
PNG
(4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2...)
Show SMILES COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O
Show InChI InChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
PDB
MMDB

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KEGG

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM30974
PNG
(1-(2,3-dimethylphenyl)-4-veratryl-piperazine | 1-[...)
Show SMILES COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
Show InChI InChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.54E+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