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BDBM340539 US9771316, Example 26

SMILES: CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1

InChI Key: InChIKey=LXYIDVPLACGVAG-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 = 340539   
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))
BDBM340539
PNG
(US9771316, Example 26)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1
Show InChI InChI=1S/C21H29NO/c1-3-17(2)18-12-14-20(15-13-18)23-21(11-7-8-16-22)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21H,3,7-8,11,16,22H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.53E+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))
BDBM340539
PNG
(US9771316, Example 26)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1
Show InChI InChI=1S/C21H29NO/c1-3-17(2)18-12-14-20(15-13-18)23-21(11-7-8-16-22)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21H,3,7-8,11,16,22H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.70E+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