BDBM50532103 CHEMBL4464224

SMILES: Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(O)cc1OCC3

InChI Key: InChIKey=OXWBLBDJUUJFFV-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50532103   

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))	BDBM50532103 (CHEMBL4464224) Show SMILES Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(O)cc1OCC3 |c:5| Show InChI InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 4 hrs by Alexafluor-488 conjugate anti-mouse IgG antibody/Hoechst 33342 staining based imm...				Bioorg Med Chem Lett 29: 905-911 (2019) Article DOI: 10.1016/j.bmcl.2019.01.036
					More data for this Ligand-Target Pair				3D Structure (crystal)