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BDBM50540285 CHEMBL4642431

SMILES: CC(C)CCN1CCN(C[C@@H]1CC(C)C)[C@@H](CNCc1ccccc1)CC1CCCCC1

InChI Key: InChIKey=GCNDGNXMQOEIIO-WDYNHAJCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50540285   
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
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))		BDBM50540285
PNG
(CHEMBL4642431)
Show SMILES CC(C)CCN1CCN(C[C@@H]1CC(C)C)[C@@H](CNCc1ccccc1)CC1CCCCC1 |r|
Show InChI InChI=1S/C29H51N3/c1-24(2)15-16-31-17-18-32(23-29(31)19-25(3)4)28(20-26-11-7-5-8-12-26)22-30-21-27-13-9-6-10-14-27/h6,9-10,13-14,24-26,28-30H,5,7-8,11-12,15-23H2,1-4H3/t28-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.48E+3n/an/an/an/an/an/a



University of Central Florida

Curated by ChEMBL


Assay Description
Induction of LAT1-mediated polyamine efflux in human L3.6PL cells assessed as reduction in cell viability after 48 hrs by MTS assay

J Med Chem 63: 2814-2832 (2020)

More data for this
Ligand-Target Pair