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BDBM340669 US9771316, Example 68

SMILES: NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1

InChI Key: InChIKey=AXQDGDNGQNPGMN-MRXNPFEDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 340669   
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))
BDBM340669
PNG
(US9771316, Example 68)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C18H19F4NO2/c19-15-12-14(9-10-17(15)25-18(20,21)22)24-16(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,16H,4-5,8,11,23H2/t16-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.56E+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))
BDBM340669
PNG
(US9771316, Example 68)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C18H19F4NO2/c19-15-12-14(9-10-17(15)25-18(20,21)22)24-16(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,16H,4-5,8,11,23H2/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.64E+4n/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