BDBM50081466 CHEMBL3422030

SMILES: [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1

InChI Key: InChIKey=TUAAQIOXIVOMEY-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 50081466   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50081466 (CHEMBL3422030) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1 Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50081466 (CHEMBL3422030) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1 Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50081466 (CHEMBL3422030) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1 Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	277	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair