BDBM50237942 CHEMBL4078955

SMILES: Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12

InChI Key: InChIKey=CSSVMSJTPLRVMF-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 = 50237942   

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237942 (CHEMBL4078955) Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12 Show InChI InChI=1S/C17H10N2O7S/c1-10-12-7-6-11(8-15(12)25-17(20)13(10)9-18)26-27(23,24)16-5-3-2-4-14(16)19(21)22/h2-8H,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 44-53 nM				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair