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BDBM44936 4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-acetyl)-cyclopent-1-enyl]-hydrazide::4-chloranyl-N'-[2-[2,2,2-tris(fluoranyl)ethanoyl]cyclopenten-1-yl]benzohydrazide::4-chloro-N'-[2-(2,2,2-trifluoro-1-oxoethyl)-1-cyclopentenyl]benzohydrazide::4-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide::MLS000595382::SMR000149905::cid_3147001

SMILES: FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KWYQMJJMKCEKEE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 44936   
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))
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 |t:6|
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

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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 |t:6|
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

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UniChem

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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 |t:6|
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
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PC cid
PC sid
UniChem

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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
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 |t:6|
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
AffyNet 
Purchase

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