BDBM50256790 CHEMBL4068566

SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@]([#8]C2([#6])[#6])(\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#6]3=O

InChI Key InChIKey=ROEQBPCDARVGLU-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256790   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50256790(CHEMBL4068566)
Affinity DataIC50: 4.69E+3nMAssay Description:Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate incubated for 10 mins measured for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2019
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50256790(CHEMBL4068566)
Affinity DataKi:  1.49E+3nMAssay Description:Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2019
Entry Details Article
PubMed