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BDBM50334193 CHEMBL1645419

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#7]=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=SNFIJNHLCALWSA-VHCYLRGUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334193   
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 22


(Homo sapiens (Human))
BDBM50334193
PNG
(CHEMBL1645419)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSN=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C65H109N23O26S/c1-9-29(4)49(86-61(111)40(24-28(2)3)83-55(105)35(13-11-22-73-65(70)71)77-51(101)30(5)75-33(8)90)62(112)82-38(16-19-47(97)98)57(107)85-42(26-48(99)100)60(110)84-41(25-43(66)91)59(109)80-37(15-18-46(95)96)56(106)81-39(20-23-115-88-114)58(108)87-50(32(7)89)63(113)76-31(6)52(102)78-34(12-10-21-72-64(68)69)54(104)79-36(14-17-45(93)94)53(103)74-27-44(67)92/h28-32,34-42,49-50,89H,9-27H2,1-8H3,(H2,66,91)(H2,67,92)(H,74,103)(H,75,90)(H,76,113)(H,77,101)(H,78,102)(H,79,104)(H,80,109)(H,81,106)(H,82,112)(H,83,105)(H,84,110)(H,85,107)(H,86,111)(H,87,108)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H4,68,69,72)(H4,70,71,73)/t29-,30-,31-,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Oxidative inactivation of lymphoid tyrosine phosphatase by DiFMUP assay


Bioorg Med Chem Lett 21: 285-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.025
BindingDB Entry DOI: 10.7270/Q2Q81DBQ
More data for this
Ligand-Target Pair