Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50094711'   

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))	BDBM50094711 (CHEMBL3589352) Show SMILES Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)cc1 |c:15| Show InChI InChI=1S/C60H93N17O17S2/c1-4-31(2)48(63)59(93)75-42-30-96-95-29-41-51(85)66-27-47(82)76-23-9-13-43(76)58(92)70-37(11-5-7-21-61)52(86)71-38(25-33-15-17-34(79)18-16-33)54(88)73-40(28-78)55(89)68-35(49(64)83)19-20-46(81)65-22-8-6-12-36(69-56(42)90)53(87)72-39(26-45(62)80)60(94)77-24-10-14-44(77)57(91)67-32(3)50(84)74-41/h15-18,31-32,35-44,48,78-79H,4-14,19-30,61,63H2,1-3H3,(H2,62,80)(H2,64,83)(H,65,81)(H,66,85)(H,67,91)(H,68,89)(H,69,90)(H,70,92)(H,71,86)(H,72,87)(H,73,88)(H,74,84)(H,75,93)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	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))	BDBM50094711 (CHEMBL3589352) Show SMILES Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)cc1 |c:15| Show InChI InChI=1S/C60H93N17O17S2/c1-4-31(2)48(63)59(93)75-42-30-96-95-29-41-51(85)66-27-47(82)76-23-9-13-43(76)58(92)70-37(11-5-7-21-61)52(86)71-38(25-33-15-17-34(79)18-16-33)54(88)73-40(28-78)55(89)68-35(49(64)83)19-20-46(81)65-22-8-6-12-36(69-56(42)90)53(87)72-39(26-45(62)80)60(94)77-24-10-14-44(77)57(91)67-32(3)50(84)74-41/h15-18,31-32,35-44,48,78-79H,4-14,19-30,61,63H2,1-3H3,(H2,62,80)(H2,64,83)(H,65,81)(H,66,85)(H,67,91)(H,68,89)(H,69,90)(H,70,92)(H,71,86)(H,72,87)(H,73,88)(H,74,84)(H,75,93)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	520	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