BindingDB logo
myBDB logout

BDBM340672 US9771316, Example 70

SMILES: NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1

InChI Key: InChIKey=AIYPIAWMPHBKQI-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 340672   
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))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.66E+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)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.04E+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)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.31E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair