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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.2
BDBM44987
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM44987
PNG
(5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2-fluorobenz...)
Show SMILES Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
Show InChI InChI=1S/C22H16Cl2FN3O3/c23-15-5-7-19(17(24)11-15)30-13-16-6-8-20(31-16)22(29)26-21-9-10-28(27-21)12-14-3-1-2-4-18(14)25/h1-11H,12-13H2,(H,26,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.15E+3n/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/Q25719FH
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM44987
PNG
(5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2-fluorobenz...)
Show SMILES Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
Show InChI InChI=1S/C22H16Cl2FN3O3/c23-15-5-7-19(17(24)11-15)30-13-16-6-8-20(31-16)22(29)26-21-9-10-28(27-21)12-14-3-1-2-4-18(14)25/h1-11H,12-13H2,(H,26,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.03E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM44987
PNG
(5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2-fluorobenz...)
Show SMILES Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
Show InChI InChI=1S/C22H16Cl2FN3O3/c23-15-5-7-19(17(24)11-15)30-13-16-6-8-20(31-16)22(29)26-21-9-10-28(27-21)12-14-3-1-2-4-18(14)25/h1-11H,12-13H2,(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.08E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair