BDBM50140127 CHEMBL3754498

SMILES: COc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1

InChI Key: InChIKey=DVPGIFOQXACXCT-HKBQPEDESA-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 = 50140127   

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
Neutral amino acid transporter B(0) (Homo sapiens (Human))	BDBM50140127 (CHEMBL3754498) Show SMILES COc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1 |r| Show InChI InChI=1S/C34H38N2O6/c1-39-29-13-7-9-25(19-29)23-41-32-15-5-3-11-27(32)21-36(18-17-31(35)34(37)38)22-28-12-4-6-16-33(28)42-24-26-10-8-14-30(20-26)40-2/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting				Bioorg Med Chem Lett 26: 1044-7 (2016) BindingDB Entry DOI: 10.7270/Q2MC91V1
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50140127 (CHEMBL3754498) Show SMILES COc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(OC)c2)c1 |r| Show InChI InChI=1S/C34H38N2O6/c1-39-29-13-7-9-25(19-29)23-41-32-15-5-3-11-27(32)21-36(18-17-31(35)34(37)38)22-28-12-4-6-16-33(28)42-24-26-10-8-14-30(20-26)40-2/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting				Bioorg Med Chem Lett 26: 1044-7 (2016) BindingDB Entry DOI: 10.7270/Q2MC91V1
					More data for this Ligand-Target Pair