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3 similar compounds to monomer 26104

Compile data set for download or QSAR
Wt: 393.3
BDBM26103
Wt: 375.3
BDBM26102
Wt: 433.3
BDBM50270587

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 26103,26102,50270587   
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
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50270587
PNG
(5-(3-Cyclohexyl-4'-fluoro-2'-trifluoromethyl-biphe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-15-7-9-16(19(11-15)23(25,26)27)14-6-8-17(21-12-20(22(29)30)28-31-21)18(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Astex Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of PtpB


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26103
PNG
(5-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(propa...)
Show SMILES CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4NO3/c1-10(2)14-7-11(12-4-6-16(21)15(8-12)20(22,23)24)3-5-13(14)18-9-17(19(26)27)25-28-18/h3-10H,1-2H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
500 -8.50n/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)
BDBM26102
PNG
(5-[2-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]ph...)
Show SMILES CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3NO3/c1-11(2)16-9-13(12-4-3-5-14(8-12)20(21,22)23)6-7-15(16)18-10-17(19(25)26)24-27-18/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
850 -8.19n/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