BindingDB logo
myBDB logout

null

SMILES: COc1cccc(COc2ccccc2CN(CC[C@@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1

InChI Key: InChIKey=DVPGIFOQXACXCT-WJOKGBTCSA-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 2 hits for monomerid = 464408   
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
Amino acid transporter


(Rattus norvegicus)
BDBM464408
PNG
(US10793514, Compound 12)
Show SMILES COc1cccc(COc2ccccc2CN(CC[C@@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1 |r|
Show InChI InChI=1S/C34H38N2O6/c1-39-29-13-7-9-25(19-29)23-41-32-15-5-3-11-27(32)21-36(18-17-31(35)34(37)38)22-28-12-4-6-16-33(28)42-24-26-10-8-14-30(20-26)40-2/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Live-cell amino acid uptake assays using HEK293 cells were carried out in 96-well plates (CulturPlate-96, Perkin Elmer). 96-well plates were coated w...


US Patent US10793514 (2020)

More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens (Human))
BDBM464408
PNG
(US10793514, Compound 12)
Show SMILES COc1cccc(COc2ccccc2CN(CC[C@@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1 |r|
Show InChI InChI=1S/C34H38N2O6/c1-39-29-13-7-9-25(19-29)23-41-32-15-5-3-11-27(32)21-36(18-17-31(35)34(37)38)22-28-12-4-6-16-33(28)42-24-26-10-8-14-30(20-26)40-2/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Live-cell amino acid uptake assays using HEK293 cells were carried out in 96-well plates (CulturPlate-96, Perkin Elmer). 96-well plates were coated w...


US Patent US10793514 (2020)

More data for this
Ligand-Target Pair