BDBM50174345 CHEMBL3809112

SMILES: N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(O)=O

InChI Key: InChIKey=WDAJRFDYHJVFMA-HNNXBMFYSA-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 = 50174345   

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 1 (Homo sapiens (Human))	BDBM50174345 (CHEMBL3809112) Show SMILES N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(O)=O |r| Show InChI InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11,17H2,(H,18,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ...				J Med Chem 61: 7358-7373 (2018) Article DOI: 10.1021/acs.jmedchem.8b01007 BindingDB Entry DOI: 10.7270/Q2XK8J66
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50174345 (CHEMBL3809112) Show SMILES N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(O)=O |r| Show InChI InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11,17H2,(H,18,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Kearney Curated by ChEMBL					Assay Description Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin after 3 mins by scintillation counting based cis-i...				Bioorg Med Chem Lett 26: 2616-2621 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZFD
					More data for this Ligand-Target Pair