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BDBM340651 US9771316, Example 53

SMILES: NCCCCC(Oc1ccc(OC(F)(F)F)c(F)c1)c1cccs1

InChI Key: InChIKey=DABWYOHGPQEMKY-UHFFFAOYSA-N

Data: 2 IC50

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 = 340651   
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 2


(Homo sapiens (Human))
BDBM340651
PNG
(US9771316, Example 53)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)c(F)c1)c1cccs1
Show InChI InChI=1S/C16H17F4NO2S/c17-12-10-11(6-7-13(12)23-16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-24-15/h3,5-7,9-10,14H,1-2,4,8,21H2
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340651
PNG
(US9771316, Example 53)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)c(F)c1)c1cccs1
Show InChI InChI=1S/C16H17F4NO2S/c17-12-10-11(6-7-13(12)23-16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-24-15/h3,5-7,9-10,14H,1-2,4,8,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.46E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair