Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50303803'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Mus musculus)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	48.7	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HQ3XB9
					More data for this Ligand-Target Pair