BindingDB logo
myBDB logout

4 similar compounds to monomer 40309

Compile data set for download or QSAR
Wt: 405.4
BDBM64927
Wt: 397.4
BDBM68737
Purchase
Wt: 450.5
BDBM74455
Purchase
Wt: 401.4
BDBM96610
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 64927,68737,74455,96610   
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
heat shock protein 90


(Candida albicans)
BDBM64927
PNG
(MLS000046762 | N-(4-fluorobenzyl)-5-[(2-fluorobenz...)
Show SMILES Fc1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1
Show InChI InChI=1S/C20H17F2NO4S/c21-16-7-5-14(6-8-16)11-23-20(24)19-10-9-17(27-19)13-28(25,26)12-15-3-1-2-4-18(15)22/h1-10H,11-13H2,(H,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68737
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-(3-isopropoxy...)
Show SMILES CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C19H24FNO5S/c1-14(2)25-11-5-10-21-19(22)18-9-8-16(26-18)13-27(23,24)12-15-6-3-4-7-17(15)20/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96610
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-f...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96610
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-f...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96610
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-f...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96610
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-f...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.78E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair