Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50136297'   

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))	BDBM50136297 (CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...) Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1 |TLB:21:20:18:15.14.16,THB:21:15:12.20.19:18,16:15:12:17.19.18,16:17:12:15.14.21,11:12:18:15.14.16,(-1.25,-4.19,;.08,-3.42,;-.69,-2.08,;.85,-2.08,;1.41,-4.19,;2.76,-3.42,;2.76,-1.87,;4.09,-1.1,;5.42,-1.86,;6.91,-1.38,;7.82,-2.63,;9.36,-2.63,;10.13,-1.29,;9.45,.09,;10.55,1.03,;11.96,1.18,;12.47,2.87,;11.3,1.82,;9.8,1.7,;12.03,.4,;11.65,-1.18,;12.63,-.14,;6.91,-3.9,;5.42,-3.42,;4.09,-4.19,)| Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Affinity for human estrogen receptor beta				Bioorg Med Chem Lett 13: 4313-6 (2003) BindingDB Entry DOI: 10.7270/Q28S4QGH
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