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BDBM50463197 CHEBI:50599::CHEMBL1233327

SMILES: Cn1cnc(C[C@H](N)C(O)=O)c1

InChI Key: InChIKey=BRMWTNUJHUMWMS-LURJTMIESA-N

Data: 2 IC50

PDB links: 137 PDB IDs match this monomer.

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 = 50463197   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463197
PNG
(CHEBI:50599 | CHEMBL1233327)
Show SMILES Cn1cnc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
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antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



University of Nebraska at Kearney

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo...


Bioorg Med Chem Lett 29: 2254-2258 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.033
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50463197
PNG
(CHEBI:50599 | CHEMBL1233327)
Show SMILES Cn1cnc(C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...


J Med Chem 61: 7358-7373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01007
BindingDB Entry DOI: 10.7270/Q2XK8J66
More data for this
Ligand-Target Pair