BDBM50420238 CHEMBL156

SMILES CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI Key InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 50420238   

TargetATP-binding cassette sub-family C member 2(Rat)
Toho University School of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50420238(CHEMBL156)
Affinity DataKi:  9.28E+4nMAssay Description:TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details
PubMed