Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50094754'   

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))	BDBM50094754 (CHEMBL3589369) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:20| Show InChI InChI=1S/C32H34N2O8S/c35-24-18-14-21(15-19-24)30-26-20-27(43(39,40)42-25-8-4-3-5-9-25)32(41-26)31(30)22-12-16-23(17-13-22)33-28(36)10-6-1-2-7-11-29(37)34-38/h3-5,8-9,12-19,26-27,32,35,38H,1-2,6-7,10-11,20H2,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.09E+3	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))	BDBM50094754 (CHEMBL3589369) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:20| Show InChI InChI=1S/C32H34N2O8S/c35-24-18-14-21(15-19-24)30-26-20-27(43(39,40)42-25-8-4-3-5-9-25)32(41-26)31(30)22-12-16-23(17-13-22)33-28(36)10-6-1-2-7-11-29(37)34-38/h3-5,8-9,12-19,26-27,32,35,38H,1-2,6-7,10-11,20H2,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	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