BDBM50355002 CHEMBL1834954

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

InChI Key: InChIKey=JJNQWYPLIWCKRB-UHFFFAOYSA-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 = 50355002   

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))	BDBM50355002 (CHEMBL1834954) Show SMILES OC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C20H14N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,(H,21,22)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of xCT-mediated cystein/glutamate transporter (unknown origin) assessed as reduction in L-[14C]cyctein uptake				Eur J Med Chem 163: 215-242 (2019) Article DOI: 10.1016/j.ejmech.2018.11.066
					More data for this Ligand-Target Pair
Cystine/glutamate transporter (Homo sapiens (Human))	BDBM50355002 (CHEMBL1834954) Show SMILES OC(=O)c1cc(ccc1O)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C20H14N2O5S/c23-18-11-8-15(13-17(18)20(24)25)5-4-14-6-9-16(10-7-14)28(26,27)22-19-3-1-2-12-21-19/h1-3,6-13,23H,(H,21,22)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	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