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2 similar compounds to monomer 64566

Compile data set for download or QSAR
Wt: 332.7
BDBM44936
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Wt: 332.7
BDBM44878
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44936,44878   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44878
PNG
(3-chloranyl-N'-[2-[2,2,2-tris(fluoranyl)ethanoyl]c...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-4-1-3-8(7-9)13(22)20-19-11-6-2-5-10(11)12(21)14(16,17)18/h1,3-4,7,19H,2,5-6H2,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.54E+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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44936
PNG
(4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-6-4-8(5-7-9)13(22)20-19-11-3-1-2-10(11)12(21)14(16,17)18/h4-7,19H,1-3H2,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.70E+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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM44936
PNG
(4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-6-4-8(5-7-9)13(22)20-19-11-3-1-2-10(11)12(21)14(16,17)18/h4-7,19H,1-3H2,(H,20,22)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.35E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZP44K0
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM44936
PNG
(4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-6-4-8(5-7-9)13(22)20-19-11-3-1-2-10(11)12(21)14(16,17)18/h4-7,19H,1-3H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.84E+3n/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/Q2MC8XGG
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM44936
PNG
(4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-6-4-8(5-7-9)13(22)20-19-11-3-1-2-10(11)12(21)14(16,17)18/h4-7,19H,1-3H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.96E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GM85R4
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM44878
PNG
(3-chloranyl-N'-[2-[2,2,2-tris(fluoranyl)ethanoyl]c...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-4-1-3-8(7-9)13(22)20-19-11-6-2-5-10(11)12(21)14(16,17)18/h1,3-4,7,19H,2,5-6H2,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

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
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair