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BDBM199178 US9217012, 6

SMILES: CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(N)=O

InChI Key: InChIKey=MWNOWVUDLZPXNF-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 199178   
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 1B


(Homo sapiens (Human))
BDBM199178
PNG
(US9217012, 6)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H35F2N4O7P/c1-3-18-7-11-20(12-8-18)25(36)31-15-5-4-6-22(24(30)35)33-26(37)23(32-17(2)34)16-19-9-13-21(14-10-19)27(28,29)41(38,39)40/h7-14,22-23H,3-6,15-16H2,1-2H3,(H2,30,35)(H,31,36)(H,32,34)(H,33,37)(H2,38,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
700 -8.39n/an/an/an/an/a7.025



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)


BindingDB Entry DOI: 10.7270/Q2FX788H
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM199178
PNG
(US9217012, 6)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H35F2N4O7P/c1-3-18-7-11-20(12-8-18)25(36)31-15-5-4-6-22(24(30)35)33-26(37)23(32-17(2)34)16-19-9-13-21(14-10-19)27(28,29)41(38,39)40/h7-14,22-23H,3-6,15-16H2,1-2H3,(H2,30,35)(H,31,36)(H,32,34)(H,33,37)(H2,38,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/an/an/an/a7.025



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)


BindingDB Entry DOI: 10.7270/Q2FX788H
More data for this
Ligand-Target Pair