Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM129652'   

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))	BDBM129652 (US8815934, No. 136) Show SMILES Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 |(-.32,-3.97,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-4.94,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;1.65,1.41,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;5.77,-8.59,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;4.34,-12.98,;3.87,-14.45,;4.9,-15.59,;6.4,-15.27,;6.88,-13.81,;3.23,-7.77,;2.2,-6.62,)| Show InChI InChI=1S/C29H31ClN2O3/c1-20-17-22(33)7-11-25(20)29-28(30)26-18-23(34)8-12-27(26)32(29)19-21-5-9-24(10-6-21)35-16-15-31-13-3-2-4-14-31/h5-12,17-18,33-34H,2-4,13-16,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	4
Wyeth LLC US Patent					Assay Description The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...				US Patent US8815934 (2014) BindingDB Entry DOI: 10.7270/Q2PZ57H0
					More data for this Ligand-Target Pair