BDBM50355001 CHEMBL1834953

SMILES: COC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1

InChI Key: InChIKey=DDRVRLBDKVCUGM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50355001   

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
Cystine/glutamate transporter (Homo sapiens (Human))	BDBM50355001 (CHEMBL1834953) Show SMILES COC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C21H16N2O5S/c1-28-21(25)18-14-16(9-12-19(18)24)6-5-15-7-10-17(11-8-15)29(26,27)23-20-4-2-3-13-22-20/h2-4,7-14,24H,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid sc...				Bioorg Med Chem Lett 21: 6184-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.081 BindingDB Entry DOI: 10.7270/Q21V5FCR
					More data for this Ligand-Target Pair