Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50212152'   

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 (Homo sapiens (Human))	BDBM50212152 (6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyr...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31| Show InChI InChI=1S/C28H31NO5S/c30-23-5-11-27-22(20-23)4-10-26(21-12-18-35(31,32)19-13-21)28(27)34-25-8-6-24(7-9-25)33-17-16-29-14-2-1-3-15-29/h4-12,20,30H,1-3,13-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
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