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SMILES: Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1

InChI Key: InChIKey=MPFQRXHRPDVJAC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223197   
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 1 [1-322]


(Homo sapiens (Human))		BDBM223197
PNG
(2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.70E+4n/a 5.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...

Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair