Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50094742'   

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 beta (Homo sapiens (Human))	BDBM50094742 (CHEMBL3589358) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(O)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-13-9-20(10-14-23)30-26-19-27(43(39,40)42-25-17-15-24(35)16-18-25)32(41-26)31(30)21-7-11-22(12-8-21)33-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,34-35H,1-6,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	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 Binding affinity to human ER-beta ligand binding domain after 2 hrs by competitive fluorometric binding assay				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50094742 (CHEMBL3589358) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(O)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-13-9-20(10-14-23)30-26-19-27(43(39,40)42-25-17-15-24(35)16-18-25)32(41-26)31(30)21-7-11-22(12-8-21)33-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,34-35H,1-6,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	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 ER-beta (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by lucif...				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50094742 (CHEMBL3589358) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(O)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-13-9-20(10-14-23)30-26-19-27(43(39,40)42-25-17-15-24(35)16-18-25)32(41-26)31(30)21-7-11-22(12-8-21)33-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,34-35H,1-6,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.34E+4	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 ER-beta (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by lucifer...				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair