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BDBM26104 5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl}-1,2-oxazole-3-carboxylic acid::Isoxazole carboxylic acid, 19

SMILES: OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=WDHWIVUIANFBPK-UHFFFAOYSA-N

Data: 7 KI  1 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 8 hits for monomerid = 26104   
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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
220 -8.98n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis H37Rv PTP-B expressed in Escherichia coli DE3 using p-nitrophenyl phosphate as substrate preincu...


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
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Article
PubMed
7.70E+3 -6.90n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
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Article
PubMed
2.14E+4 -6.30n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
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Article
PubMed
>5.00E+4>-5.80n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
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B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
>5.00E+4>-5.80n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4>-5.80n/an/an/an/an/a7.422



University of California Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair