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)	Ligand	Target/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	pH	Temp °C
Large neutral amino acids transporter small subunit 2 (Homo sapiens (Human))	BDBM340651 (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/a	n/a	2.58E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/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