BDBM50005588 CHEMBL140411::CHEMBL3234614

SMILES: [#6]-c1ccccc1\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1

InChI Key: InChIKey=NPBTTYXOISVXOO-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50005588   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50005588 (CHEMBL140411 | CHEMBL3234614) Show SMILES [#6]-c1ccccc1\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Agonist activity at ERalpha (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase rep...				J Med Chem 57: 3532-45 (2014) Article DOI: 10.1021/jm500268j BindingDB Entry DOI: 10.7270/Q2MS3V9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50005588 (CHEMBL140411 | CHEMBL3234614) Show SMILES [#6]-c1ccccc1\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Antagonist activity at ERbeta (unknown origin) expressed in human HepG2 cells assessed as inhibition of 17beta-estradiol-induced transcriptional acti...				J Med Chem 57: 3532-45 (2014) Article DOI: 10.1021/jm500268j BindingDB Entry DOI: 10.7270/Q2MS3V9N
					More data for this Ligand-Target Pair