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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P43378   
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 9 [277-582]


(Homo sapiens (Human))
BDBM231167
PNG
(US9340574, 7)
Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
34n/a 75n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...


US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 9 [277-582]


(Homo sapiens (Human))
BDBM231166
PNG
(US9340574, 5)
Show SMILES Cc1ccc(cc1Br)C(=O)NC(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)NC(CCCNC(=O)c1cccc(I)c1)C(N)=O
Show InChI InChI=1S/C30H31BrF2IN4O7P/c1-17-7-10-20(16-23(17)31)28(41)38-25(14-18-8-11-21(12-9-18)30(32,33)46(43,44)45)29(42)37-24(26(35)39)6-3-13-36-27(40)19-4-2-5-22(34)15-19/h2,4-5,7-12,15-16,24-25H,3,6,13-14H2,1H3,(H2,35,39)(H,36,40)(H,37,42)(H,38,41)(H2,43,44,45)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...


US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 9 [277-582]


(Homo sapiens (Human))
BDBM231165
PNG
(US9340574, 3)
Show SMILES CC(=O)NC(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)NC(CCCNC(=O)c1cccc(I)c1)C(N)=O
Show InChI InChI=1S/C24H28F2IN4O7P/c1-14(32)30-20(12-15-7-9-17(10-8-15)24(25,26)39(36,37)38)23(35)31-19(21(28)33)6-3-11-29-22(34)16-4-2-5-18(27)13-16/h2,4-5,7-10,13,19-20H,3,6,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,32)(H,31,35)(H2,36,37,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 900n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...


US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)