BDBM50140081 CHEMBL3752103

SMILES: N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O

InChI Key: InChIKey=VQPJHLGKMCPCQB-MHZLTWQESA-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 = 50140081   

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))	BDBM50140081 (CHEMBL3752103) Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O |r| Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)15-18-34(19-23-9-1-3-13-28(23)37-21-25-11-5-7-16-32-25)20-24-10-2-4-14-29(24)38-22-26-12-6-8-17-33-26/h1-14,16-17,27H,15,18-22,31H2,(H,35,36)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.83E+4	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)	BDBM50140081 (CHEMBL3752103) Show SMILES N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O |r| Show InChI InChI=1S/C30H32N4O4/c31-27(30(35)36)15-18-34(19-23-9-1-3-13-28(23)37-21-25-11-5-7-16-32-25)20-24-10-2-4-14-29(24)38-22-26-12-6-8-17-33-26/h1-14,16-17,27H,15,18-22,31H2,(H,35,36)/t27-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+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