BindingDB logo
myBDB logout

null

SMILES: [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]-1=O

InChI Key: InChIKey=MGSNGDMLFQANLV-MRXNPFEDSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394207   
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


(Homo sapiens (Human))		BDBM50394207
PNG
(CHEMBL2159047)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]-1=O |r|
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-14-8-13(6-7-18(14)25-3)16-11-26-19-10-15(22)9-17(23)20(19)21(16)24/h4,6-10,16,22-23H,5,11H2,1-3H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins

Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair