BDBM50240230 CHEMBL4092687

SMILES: COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1

InChI Key: InChIKey=VAOKFJZCNXIHTK-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 3 hits for monomerid = 50240230   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50240230 (CHEMBL4092687) Show SMILES COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H20FN3O2/c1-22-15-9-5-14(6-10-15)21-17(19)20-11-2-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes				Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50240230 (CHEMBL4092687) Show SMILES COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H20FN3O2/c1-22-15-9-5-14(6-10-15)21-17(19)20-11-2-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Antagonist activity at full length human androgen receptor expressed in mammalian expression system measured after 22 to 24 hrs by luciferase reporte...				Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50240230 (CHEMBL4092687) Show SMILES COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H20FN3O2/c1-22-15-9-5-14(6-10-15)21-17(19)20-11-2-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X
					More data for this Ligand-Target Pair