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Compile Data Set for Download or QSAR

Found 2 hits of ki data for polymerid = 4973   
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant HePTP expressed in Escherichia coli by Michaelis-Menten kinetic analysis


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM199180
PNG
(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+3>-8.18n/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