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SMILES: COc1ccccc1Sc1ccc(C#N)c(OC)c1

InChI Key: InChIKey=WQGGJJSMEMAVIF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248598   

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
Androgen receptor (Homo sapiens (Human))	BDBM50248598 (2-methoxy-4-(2-methoxyphenylthio)benzonitrile | CH...) Show SMILES COc1ccccc1Sc1ccc(C#N)c(OC)c1 Show InChI InChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 19: 1310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.063 BindingDB Entry DOI: 10.7270/Q2VX0GDV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50248598 (2-methoxy-4-(2-methoxyphenylthio)benzonitrile | CH...) Show SMILES COc1ccccc1Sc1ccc(C#N)c(OC)c1 Show InChI InChI=1S/C15H13NO2S/c1-17-13-5-3-4-6-15(13)19-12-8-7-11(10-16)14(9-12)18-2/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in human MDA-MB453 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 19: 1310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.063 BindingDB Entry DOI: 10.7270/Q2VX0GDV
					More data for this Ligand-Target Pair