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BDBM50189638 CHEMBL210837::N-{1-(1H-benzoimidazol-2-yl)-2-[4-(1,1,3-trioxo-1lambda*6*-isothiazolidin-5-yl)-phenyl]-ethyl}-2-fluoro-benzenesulfonamide

SMILES: Fc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=XKRAIYVCHTUOQL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189638   
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))
BDBM50189638
PNG
(CHEMBL210837 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair