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BDBM60074 2-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohexanecarboxylic acid::2-[(3,4-difluoroanilino)carbonyl]cyclohexanecarboxylic acid::2-[(3,4-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid::2-[(3,4-difluorophenyl)carbamoyl]cyclohexanecarboxylic acid::2-[[3,4-bis(fluoranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid::MLS000700945::SMR000231199::cid_4054405

SMILES: OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1

InChI Key: InChIKey=DEHFBAZNHKQZPN-UHFFFAOYSA-N

Data: 4 IC50

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 = 60074   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60074
PNG
(2-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohexanec...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C14H15F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 3.78E+4n/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...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM60074
PNG
(2-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohexanec...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C14H15F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM60074
PNG
(2-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohexanec...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C14H15F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM60074
PNG
(2-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohexanec...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C14H15F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair