BDBM340674 US9771316, Example 71

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

InChI Key: InChIKey=AIYPIAWMPHBKQI-KRWDZBQOSA-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 = 340674   

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))	BDBM340674 (US9771316, Example 71) Show SMILES NCCCC[C@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1 |r| 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-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31E+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) BindingDB Entry DOI: 10.7270/Q2X0694S
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM340674 (US9771316, Example 71) Show SMILES NCCCC[C@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1 |r| 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-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.44E+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) BindingDB Entry DOI: 10.7270/Q2X0694S
					More data for this Ligand-Target Pair