Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50471382'   

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))	BDBM50471382 (CHEMBL64692) Show SMILES O[C@H]1CC[C@@H](CC1)c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |wU:4.7,wD:1.0,(21.83,-10.84,;20.31,-10.91,;19.49,-9.51,;17.97,-9.57,;17.23,-10.91,;18,-12.22,;19.51,-12.22,;15.66,-10.91,;14.77,-12.19,;13.28,-11.74,;11.97,-12.51,;10.59,-11.74,;9.27,-12.52,;10.59,-10.2,;11.9,-9.41,;13.25,-10.15,;14.73,-9.7,;15.21,-8.18,;16.72,-7.89,;14.15,-7.09,;14.61,-5.61,;13.57,-4.47,;12.06,-4.81,;11,-3.69,;9.5,-4.01,;8.45,-2.89,;6.94,-3.21,;5.9,-2.09,;4.4,-2.41,;3.91,-3.89,;5,-4.97,;6.48,-4.69,;11.58,-6.29,;12.65,-7.38,)| Show InChI InChI=1S/C28H33NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h6-7,10-13,18,20-21,30-31H,1-5,8-9,14-17H2/t20-,21-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...				J Med Chem 40: 146-67 (1997) Article DOI: 10.1021/jm9606352 BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
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